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 >>Acridinium SeriesAliphatic 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 Reagents
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 ReagentCell Cycle >>APCAurora KinaseBUBCasein KinaseCdc25
CDKChkCRM1DHFRCytoskeleton >>ActinArp2/3 ComplexCytoplasmic dyneinDynaminFAKFilamin-AGap JunctionIntegrinMicrotubule/TubulinDNA Damage >>AP endonucleaseATAD5ATM/ATRBRCADNA Alkylator/CrosslinkerDNA-PKMore >>
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 Building Blocks >>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 Nanomaterials >>Carbon NanomaterialsCeramic MembranesDendrimersGold NanoparticlesIron Oxide NanoparticlesMaterials by ApplicationMesoporous MaterialsMetals and Metal AlloysNano Minerals: NanoclaysOptical Materials >>Coumarin DyesCyanine and Squarylium DyesDCM DyesDipyrromethene DyesFluorescence MaterialsFluorescent ProbesHeat and Pressure Sensitive DyesNear-Infrared (NIR) DyesOrganic Non-Linear Optical (NLO) MaterialsOrganic ligands for MOF materials >>Carboxylic MOF ligandsHalogen seriesMOF ligands of nitrogenous carboxylic acids
Nitrogen containing MOF ligandsOrganic frame monomer blockOther MOF ligandsPorphyrin seriesTwo dimensional MOF ligandsOrganic 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
Heterocyclic Building Blocks
Benzimidazoles
6-Bromo-2-chloro-1-cyclopropyl-1H-benzo[d]imidazole
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Benzimidazoles
Bromides Chlorides

[ CAS No. 1416714-37-8 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1416714-37-8
Chemical Structure| 1416714-37-8
Chemical Structure| 1416714-37-8
Structure of 1416714-37-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 88K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 1416714-37-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1416714-37-8 ]

SDS
Alternatived Products of [ 1416714-37-8 ]

Product Details of [ 1416714-37-8 ]

CAS No. :1416714-37-8 MDL No. :MFCD22689788
Formula : C10H8BrClN2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :271.54 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 1416714-37-8 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.3
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 61.2
TPSA : 17.82 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.73
Log Po/w (XLOGP3) : 3.55
Log Po/w (WLOGP) : 3.72
Log Po/w (MLOGP) : 3.18
Log Po/w (SILICOS-IT) : 3.22
Consensus Log Po/w : 3.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.17
Solubility : 0.0184 mg/ml ; 0.0000676 mol/l
Class : Moderately soluble
Log S (Ali) : -3.61
Solubility : 0.0668 mg/ml ; 0.000246 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.15
Solubility : 0.0191 mg/ml ; 0.0000703 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.86

Safety of [ 1416714-37-8 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Tags: 1416714-37-8 synthesis path| 1416714-37-8 SDS| 1416714-37-8 COA| 1416714-37-8 purity| 1416714-37-8 application| 1416714-37-8 NMR| 1416714-37-8 COA| 1416714-37-8 structure

Related Products
Historical Records

Related Functional Groups of
[ 1416714-37-8 ]

Chlorides

Chemical Structure| 1416713-06-8

[ 1416713-06-8 ]

4-Bromo-2-chloro-1-cyclopropyl-1H-benzo[d]imidazole

Similarity: 0.94

Chemical Structure| 184832-29-9

[ 184832-29-9 ]

2-Chloro-1-cyclopropyl-1H-benzo[d]imidazole

Similarity: 0.89

Chemical Structure| 80841-35-6

[ 80841-35-6 ]

2-Chloro-1-propyl-1H-benzo[d]imidazole

Similarity: 0.86

Chemical Structure| 3705-87-1

[ 3705-87-1 ]

2-Chloro-1-isopropyl-1H-benzo[d]imidazole

Similarity: 0.84

Chemical Structure| 1378947-22-8

[ 1378947-22-8 ]

6-Bromo-2-chloro-1-methyl-1H-benzo[d]imidazole

Similarity: 0.83

Bromides

Chemical Structure| 1416713-06-8

[ 1416713-06-8 ]

4-Bromo-2-chloro-1-cyclopropyl-1H-benzo[d]imidazole

Similarity: 0.94

Chemical Structure| 1416713-53-5

[ 1416713-53-5 ]

6-Bromo-1-cyclopropyl-1H-benzo[d]imidazole

Similarity: 0.86

Chemical Structure| 1378947-22-8

[ 1378947-22-8 ]

6-Bromo-2-chloro-1-methyl-1H-benzo[d]imidazole

Similarity: 0.83

Chemical Structure| 1199773-32-4

[ 1199773-32-4 ]

5-Bromo-1-isopropyl-1H-benzo[d]imidazole hydrochloride

Similarity: 0.83

Chemical Structure| 1199773-13-1

[ 1199773-13-1 ]

5-Bromo-1-propyl-1H-benzo[d]imidazole hydrochloride

Similarity: 0.83

Related Parent Nucleus of
[ 1416714-37-8 ]

Benzimidazoles

Chemical Structure| 1416713-06-8

[ 1416713-06-8 ]

4-Bromo-2-chloro-1-cyclopropyl-1H-benzo[d]imidazole

Similarity: 0.94

Chemical Structure| 184832-29-9

[ 184832-29-9 ]

2-Chloro-1-cyclopropyl-1H-benzo[d]imidazole

Similarity: 0.89

Chemical Structure| 1416713-53-5

[ 1416713-53-5 ]

6-Bromo-1-cyclopropyl-1H-benzo[d]imidazole

Similarity: 0.86

Chemical Structure| 80841-35-6

[ 80841-35-6 ]

2-Chloro-1-propyl-1H-benzo[d]imidazole

Similarity: 0.86

Chemical Structure| 3705-87-1

[ 3705-87-1 ]

2-Chloro-1-isopropyl-1H-benzo[d]imidazole

Similarity: 0.84