630-580-1088 sales@ambeed.com
Structure Search

List Search MOL Search Structure Search

0
Chemistry
Asymmetric Synthesis >>Chiral Building BlocksChiral Catalysts, Chiral Ligands and Chiral ReagentsChiral Resolution ReagentsCatalysis Chemistry >>Achiral Crown LigandsC-H ActivationCarbon-Donor LigandsChiral Crown LigandsCross-CouplingCross-Coupling Using Transition Metal CatalystsDACH or Trost LigandsDiketone LigandsHydrogenationChemical Biology >>Conjugation ChemistryGlycoscienceLinkers and CrosslinkersNucleic Acid ChemistryPEGylation
Peptide ChemistryPhotolabile Protecting GroupHeterocyclic Building Blocks >>AcridinesAliphatic HeterocyclesAromatic HeterocyclesAzetidinesBenzimidazolesBenzisoxazolesBenzodioxansBenzofuransBenzothiazolesInorganic reagents >>Inorganic reagentOrganic Building Blocks >>Acyl ChloridesAlcoholsAldehydesAliphatic Chain HydrocarbonsAliphatic Cyclic Hydrocarbons
AlkenylsAlkylsAlkynylsAmidesOrganometallic Reagents >>Grignard ReagentsOrganoarsenicOrganobismuthOrganoboronOrganogermaniumOrganolithiumOrganomercuryOrganosiliconOrganotinSpecialty Synthesis >>Enzyme-Mediated SynthesisFluorous SynthesisIonic LiquidsSolid Supported SynthesisStains and Dyes >>
Acid DyesAzoic DyesBasic DyesDirect DyesDisperse DyesDye IntermediatesMordant DyesOil DyesOther Stains and DyesSynthetic Reagents >>Acids and BasesC-C Bond FormationC-X Bond Formation (Halogen)C-X Bond Formation (Non-Halogen)Chelation and Complexation CompoundsCondensation AgentsCouplingDehydrating ReagentsFluorination Reagent
Pharmaceutical Intermediates
Analgesics >>BenzhydrocodoneBicifadineCapsaicinCelecoxibDebio-0827DexamethasoneElagolix SodiumEsketamine HydrochlorideIbuprofen sodiumAnesthetics >>CiprofolEsketamine HydrochlorideFospropofol Fospropofol DisodiumLevobupivacaine RemimazolamRemimazolam BesilateRemimazolam besylateRopivacaineAnti-Addiction Agents >>Kakonein
Lofexidine HydrochlorideVarenicline Anti-inflammatory Agents >>ApremilastAsunaprevirATB-346 RelatedBalsalazide BaricitinibBencycloquidium BromideBudesonideCefiderocol Sulfate TosylateCeftaroline Fosamil AcetateAntibacterials >>AFN-1252 RelatedAlatrofloxacin Bedaquiline FumarateBesifloxacin BrilacidinCaspofungin AcetateCefiderocol Sulfate TosylateCefilavancinCeftaroline Fosamil
Anticonvulsants >>BrivaracetamCannabidiolEscitalopram OxalateEslicarbazepine Acetate RelatedFosphenytoinGabapentin EnacarbilJNJ-10234094LacosamideLevetiracetam RelatedAntidementia Agents >>Azeliragon RelatedDavunetideDonepezil HydrochlorideDonepezil RelatedEnsaculinFlorbetaben Flortaucipir F 18Flutemetamol IdalopirdineAntidepressants >>4-Chlorokynurenine
AgomelatineAgomelatine RelatedAllopregnanolone RelatedAmibegronAmitifadineAripiprazole RelatedBasimglurantBefloxatoneAntiemetics >>AprepitantAprepitant RelatedDolasetron RelatedDolasetron Mesylate HydrateFosaprepitant DimeglumineFosaprepitant RelatedOlanzapinePalonosetron RelatedPalonosetron HydrochlorideAntifungals >>Anidulafungin RelatedCabotegravirMore >>
Inhibitors/Agonists
ADC >>ADC LinkerADC Linker with PayloadADC ToxinAnti-infection >>3CLproAntibacterialAntifungalAntiparasiticAntiprotozoalAntiviralBVDVCMVDengue VirusApoptosis >>Apoptosis InducerBcl-2c-Mycc-RETC/EBPCARDCaspase
DAPKIAPAutophagy >>AutophagyLC3LRRK2LysosomemitoNEETPPTSPHKTFEBULKBiochemical Reagent >>Cationic & Neutral LipidsDendrimersDye ReagentIntermediate and OthersCell Cycle >>APCAurora KinaseBUBCasein Kinase
Cdc25CDKChkCRM1DHFRCytoskeleton >>ActinArp2/3 ComplexCytoplasmic dyneinDynaminFAKFilamin-AGap JunctionIntegrinMicrotubule/TubulinDNA Damage >>AP endonucleaseATAD5ATM/ATRBRCADNA Alkylator/CrosslinkerMore >>
Material Science
Aggregation-Induced Emission >>Other AIE BlocksTetraphenylethylene SeriesElectronic Materials >>Battery MaterialsDye-Sensitized Solar Cell (DSSC) MaterialsElectronic MaterialLiquid Crystal (LC) MaterialsMolecular ConductorsOrganic Light-Emitting Diode (OLED) MaterialsOrganic Solar Cell (OPV) MaterialsOrganic Transistor (OFET) MaterialsPerovskite Solar Cell (PSC) MaterialsMagnetic Materials >>Magnetic Ionic LiquidsMagnetic MaterialMagnetic Metal Complexes Organic Radicals Material Chemical Compounds >>Ligands for Functional Metal ComplexesLiquid Crystal (LC) Building BlocksPhthalocyanine Building BlocksPolymer and Macromolecule Semiconductor Building BlocksSmall Molecule Semiconductor Building BlocksSolubility Enhancing Reagents Supramolecular Host Materials MOF Ligands >>
Carboxylic MOF ligandsMOF ligands of nitrogenous carboxylic acidsNitrogen containing MOF ligandsOther MOF ligandsNanomaterials >>Carbon NanomaterialsCeramic MembranesDendrimersGold NanoparticlesIron Oxide NanoparticlesMaterials by ApplicationMesoporous MaterialsMetals and Metal AlloysNano Minerals: NanoclaysOLED Materials >>DopantHostHTMOLED IntermediatesOther OLED related materialsOLED Materials >>DopantHostHTMOther OLED related metarialsOptical Materials >>Coumarin Dyes
Cyanine and Squarylium DyesDCM DyesDipyrromethene DyesFluorescence MaterialsFluorescent ProbesHeat and Pressure Sensitive DyesNear-Infrared (NIR) DyesOrganic Non-Linear Optical (NLO) MaterialsOrganic monomer of COF >>Aldehyde based COF monomerAlkynyl COF monomerAmino COF monomerBoric acid COF monomerCyano COF monomerMultifunctional COF monomerOther COF monomerTriphene seriesOrganic Pigments >>Organic PigmentOther Materials >>Mateial OtherPolymer Science >>MonomersPolymer AdditivesPolymerization ReagentsPolymersResins
Life Science
ADC-linkers >>ADC-linkerAmino Acids >>Amino AcidAmino Acid DerivativesAnalytical Science >>Stable IsotopesAPIs >>API
DNA/RNA >>Nucleosides and NucleotidesEnzymes >>EnzymeOther Life Science >>CRISPR/Cas9eIFIRE1Neuronal Signaling
Sigma ReceptorPeptides >>PeptideStandard Substrates >>Standard SubstrateSteroids >>Other Steroids
Contact Us
Home Cart 0 Sign in  
X
Chemistry
Organic Building Blocks
Aryls
2-Propyl-2,3-dihydro-1H-inden-1-one
Chemistry
Organic Building Blocks
Aryls
Ketones Benzene Compounds

[ CAS No. 92013-10-0 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 92013-10-0
Chemical Structure| 92013-10-0
Chemical Structure| 92013-10-0
Structure of 92013-10-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 100K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 92013-10-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 92013-10-0 ]

SDS Specification
Alternatived Products of [ 92013-10-0 ]

Product Details of [ 92013-10-0 ]

CAS No. :92013-10-0 MDL No. :MFCD00799578
Formula : C12H14O Boiling Point : -
Linear Structure Formula :- InChI Key :BHZFSMHRFRREQN-UHFFFAOYSA-N
M.W :174.24 Pubchem ID :5127352
Synonyms :

Calculated chemistry of [ 92013-10-0 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.42
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.91
TPSA : 17.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.13 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.4
Log Po/w (XLOGP3) : 3.14
Log Po/w (WLOGP) : 2.84
Log Po/w (MLOGP) : 2.58
Log Po/w (SILICOS-IT) : 3.49
Consensus Log Po/w : 2.89

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.11
Solubility : 0.136 mg/ml ; 0.00078 mol/l
Class : Soluble
Log S (Ali) : -3.17
Solubility : 0.118 mg/ml ; 0.000679 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.08
Solubility : 0.0146 mg/ml ; 0.0000836 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.18

Safety of [ 92013-10-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 92013-10-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 92013-10-0 ]

[ 92013-10-0 ] Synthesis Path-Downstream   1~19

  • 1
  • [ 92013-10-0 ]
  • 2-Propyl-indan-1-ol [ No CAS ]
Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 4226 - 4237
  • 3
  • (+-)-2-hydroxymethyl-1-phenyl-pentanone-(1) [ No CAS ]
  • [ 92013-10-0 ]
Reference： [1]Journal of the American Chemical Society,1948,vol. 70,p. 4184
  • 4
  • [ 83-33-0 ]
  • n-C3H7X [ No CAS ]
  • [ 92013-10-0 ]
Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 4226 - 4237
  • 5
  • [ 92013-10-0 ]
  • [ 926-57-8 ]
  • 2-((E)-3-Chloro-but-2-enyl)-2-propyl-indan-1-one [ No CAS ]
Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 5581 - 5583
  • 6
  • [ 354529-98-9 ]
  • [ 92013-10-0 ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
  • 7
  • [ 92013-10-0 ]
  • [ 540-63-6 ]
  • [ 926925-70-4 ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
  • 8
  • [ 1009-14-9 ]
  • [ 92013-10-0 ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
  • 9
  • [ 92013-10-0 ]
  • [ 926925-74-8 ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
  • 10
  • [ 92013-10-0 ]
  • ethyl 4-propyl-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-1-carboxylate [ No CAS ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
  • 11
  • [ 92013-10-0 ]
  • 4-propyl-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-1-carboxylic acid [ No CAS ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
  • 12
  • [ 92013-10-0 ]
  • 4-propyl-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-1-carboxylic acid [ No CAS ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
  • 13
  • [ 92013-10-0 ]
  • C16H24Br2O2 [ No CAS ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
  • 14
  • [ 92013-10-0 ]
  • [ 64624-93-7 ]
Reference： [1]European Journal of Organic Chemistry,2006,p. 5555 - 5569
[2]Journal of Organic Chemistry,1984,vol. 49,p. 4226 - 4237
  • 15
  • [ 92013-10-0 ]
  • 2-(3-oxo-butyl)-2-propyl-indan-1-one [ No CAS ]
Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 5581 - 5583
  • 16
  • [ 92013-10-0 ]
  • 9a-propyl-1,2,9,9a-tetrahydro-fluoren-3-one [ No CAS ]
Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 5581 - 5583
  • 17
  • [ 92013-10-0 ]
  • 2-Propyl-2-[2-((4R,5R)-2,4,5-trimethyl-[1,3]dioxolan-2-yl)-ethyl]-indan-1-one [ No CAS ]
Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 5581 - 5583
  • 18
  • [ 92013-10-0 ]
  • [ 92013-11-1 ]
Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 4226 - 4237
  • 19
  • [ 92013-10-0 ]
  • [ 4229-44-1 ]
  • C13H17NO [ No CAS ]
Reference： [1]RSC Advances,2017,vol. 7,p. 48980 - 48988

Tags: 92013-10-0 synthesis path| 92013-10-0 SDS| 92013-10-0 COA| 92013-10-0 purity| 92013-10-0 application| 92013-10-0 NMR| 92013-10-0 COA| 92013-10-0 structure

Same Skeleton Products
Related Products
Historical Records

Related Functional Groups of
[ 92013-10-0 ]

Aryls

Chemical Structure| 17496-14-9

[ 17496-14-9 ]

2-Methyl-1-indanone

Similarity: 1.00

Chemical Structure| 98190-98-8

[ 98190-98-8 ]

2-Pentyl-2,3-dihydro-1H-inden-1-one

Similarity: 1.00

Chemical Structure| 66309-83-9

[ 66309-83-9 ]

2,6-Dimethyl-2,3-dihydro-1H-inden-1-one

Similarity: 1.00

Chemical Structure| 1133-72-8

[ 1133-72-8 ]

2-Acetyl-1H-indene-1,3(2H)-dione

Similarity: 1.00

Chemical Structure| 22351-56-0

[ 22351-56-0 ]

2-Ethyl-2,3-dihydro-1H-inden-1-one

Similarity: 1.00

Ketones

Chemical Structure| 17496-14-9

[ 17496-14-9 ]

2-Methyl-1-indanone

Similarity: 1.00

Chemical Structure| 98190-98-8

[ 98190-98-8 ]

2-Pentyl-2,3-dihydro-1H-inden-1-one

Similarity: 1.00

Chemical Structure| 66309-83-9

[ 66309-83-9 ]

2,6-Dimethyl-2,3-dihydro-1H-inden-1-one

Similarity: 1.00

Chemical Structure| 1133-72-8

[ 1133-72-8 ]

2-Acetyl-1H-indene-1,3(2H)-dione

Similarity: 1.00

Chemical Structure| 22351-56-0

[ 22351-56-0 ]

2-Ethyl-2,3-dihydro-1H-inden-1-one

Similarity: 1.00