Home Cart 0 Sign in  
X

[ CAS No. 811803-24-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 811803-24-4
Chemical Structure| 811803-24-4
Chemical Structure| 811803-24-4
Structure of 811803-24-4 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 811803-24-4 ]

Related Doc. of [ 811803-24-4 ]

Alternatived Products of [ 811803-24-4 ]
Product Citations

Product Details of [ 811803-24-4 ]

CAS No. :811803-24-4 MDL No. :MFCD27922326
Formula : C10H10N2O Boiling Point : -
Linear Structure Formula :- InChI Key :PIYHHKVDZALDMC-UHFFFAOYSA-N
M.W : 174.20 Pubchem ID :72698786
Synonyms :

Calculated chemistry of [ 811803-24-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 53.52
TPSA : 55.12 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.05 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.37
Log Po/w (XLOGP3) : 0.44
Log Po/w (WLOGP) : 0.63
Log Po/w (MLOGP) : 1.14
Log Po/w (SILICOS-IT) : 1.59
Consensus Log Po/w : 1.03

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.54
Solubility : 5.04 mg/ml ; 0.0289 mol/l
Class : Very soluble
Log S (Ali) : -1.17
Solubility : 11.9 mg/ml ; 0.0683 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.06
Solubility : 0.15 mg/ml ; 0.000861 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.16

Safety of [ 811803-24-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

• 1,4-Addition of an Amine to a Conjugated Enone • 1,4-Addition of an Amine to a Conjugated Enone • 1,4-Additions of Organometallic Reagents • Acetal Formation • Acid-Catalyzed α -Halogenation of Ketones • Acyl Group Substitution • Add Hydrogen Cyanide to Aldehydes and Ketones to Produce Alcohols • Alcohol Syntheses from Aldehydes, Ketones and Organometallics • Aldehydes and Ketones Form Hemiacetals Reversibly • Aldehydes May Made by Terminal Alkynes Though Hydroboration-oxidation • Aldol Addition • Aldol Condensation • Alkenes React with Ozone to Produce Carbonyl Compounds • Alkylation of Aldehydes or Ketones • Alkylation of Enolate Ions • Amide Hydrolysis • Amide Hydrolysis • Amides Can Be Converted into Aldehydes • Amine Synthesis from Nitriles • Amine Synthesis from Nitriles • Amines Convert Acyl Chlorides into Amides • Amines Convert Esters into Amides • Azide Reduction by LiAlH4 • Azide Reduction by LiAlH4 • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Base-Catalyzed Hydration of α,β -Unsaturated Aldehydes and Ketones • Basicity of Amines • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chichibabin Reaction • Claisen Condensations Produce β-Dicarbonyl Compounds • Claisen Condensations Produce β-Dicarbonyl Compounds • Clemmensen Reduction • Complex Metal Hydride Reductions • Conjugated Enone Takes Part in 1,4-Additions • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Cyanohydrins can be Convert to Carbonyl Compounds under Basic Conditions • Decarboxylation of 3-Ketoacids Yields Ketones • Decarboxylation of Substituted Propanedioic • Deoxygenation of the Carbonyl Group • Deprotonation of a Carbonyl Compound at the α -Carbon • Diazotization Reaction • DIBAL Attack Nitriles to Give Ketones • Diorganocuprates Convert Acyl Chlorides into Ketones • Dithioacetal Formation • Enamine Formation • Enamines Can Be Used to Prepare Alkylated Aldehydes • Enol-Keto Equilibration • Enolate Ions Are Protonated to Form ketones • Exclusive 1,4-Addition of a Lithium Organocuprate • Fischer Indole Synthesis • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Furan Hydrolyzes to Dicarbonyl Compounds • Geminal Diols and Acetals Can Be Hydrolyzed to Carbonyl Compounds • Grignard Reaction • Hantzsch Pyridine Synthesis • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hemiaminal Formation from Amines and Aldehydes or Ketones • Henry Nitroaldol Reaction • HIO4 Oxidatively Degrades Vicinal Diols to Give Carbonyl Derivatives • Hofmann Elimination • Hofmann Rearrangement • Horner-Wadsworth-Emmons Reaction • Hydration of the Carbonyl Group • Hydride Reductions • Hydride Reductions of Aldehydes and Ketones to Alcohols • Hydride Reductions of Aldehydes and Ketones to Alcohols • Hydrogenation by Palladium on Carbon Gives the Saturated Carbonyl Compound • Hydrolysis of Imines to Aldehydes and Ketones • Imine Formation from Amines and Aldehydes or Ketones • Isomerization of β, γ -Unsaturated Carbonyl Compounds • Ketone Synthesis from Nitriles • Ketones Undergo Mixed Claisen Reactions to Form β-Dicarbonyl Compounds • Lawesson's Reagent • Leuckart-Wallach Reaction • Lithium Organocuprate may Add to the α ,β -Unsaturated Carbonyl Function in 1,4-Fashion • Mannich Reaction • Mannich Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mercury Ions Catalyze Alkynes to Ketones • Methylation of Ammonia • Methylation of Ammonia • Michael Addition • Nitrosation of Amines • Oxidation of Alcohols to Carbonyl Compounds • Oxidation of Alkyl-substituted Benzenes Gives Aromatic Ketones • Passerini Reaction • Paternò-Büchi Reaction • Peptide Bond Formation with DCC • Petasis Reaction • Peterson Olefination • Phenylhydrazone and Phenylosazone Formation • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Preparation of LDA • Prins Reaction • Pyrroles, Furans, and Thiophenes are Prepared from γ-Dicarbonyl Compounds • Reactions of Aldehydes and Ketones • Reactions of Amines • Reduction of an Amide to an Amine • Reduction of an Amide to an Amine • Reductive Amination • Reductive Amination • Reformatsky Reaction • Ring Opening of Azacyclopropanes • Ring Opening of Azacyclopropanes • Ring Opening of Oxacyclobutanes • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Stobbe Condensation • Strecker Synthesis • Synthesis of 2-Amino Nitriles • Tebbe Olefination • The Acylium Ion Attack Benzene to Form Phenyl Ketones • The Claisen Rearrangement • The Reaction of Alkynyl Anions with Carbonyl Derivatives • The Wittig Reaction • Thiazolium Salt Catalysis in Aldehyde Coupling • Thiazolium Salts Catalyze Aldehyde Coupling • Thiazolium Salts Catalyze Aldehyde Coupling • Ugi Reaction • Use 1,3-dithiane to Prepare of α-Hydroxyketones • Wittig Reaction • Wolff-Kishner Reduction
Historical Records

Related Functional Groups of
[ 811803-24-4 ]

Amides

Chemical Structure| 13861-75-1

[ 13861-75-1 ]

Spiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 1360946-84-4

[ 1360946-84-4 ]

5'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 1360952-70-0

[ 1360952-70-0 ]

7'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 83419-47-0

[ 83419-47-0 ]

6'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.97

Chemical Structure| 1399663-06-9

[ 1399663-06-9 ]

5'-Aminospiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.97

Amines

Chemical Structure| 1399663-06-9

[ 1399663-06-9 ]

5'-Aminospiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.97

Chemical Structure| 23694-70-4

[ 23694-70-4 ]

6-Amino-3-ethylindolin-2-one

Similarity: 0.97

Chemical Structure| 1399657-25-0

[ 1399657-25-0 ]

5'-Amino-1'-methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.93

Chemical Structure| 790607-67-9

[ 790607-67-9 ]

3-(1-Aminopropan-2-yl)-1-methylindolin-2-one

Similarity: 0.93

Chemical Structure| 797051-98-0

[ 797051-98-0 ]

5-Amino-3-ethylindolin-2-one

Similarity: 0.93

Related Parent Nucleus of
[ 811803-24-4 ]

Indolines

Chemical Structure| 13861-75-1

[ 13861-75-1 ]

Spiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 1360946-84-4

[ 1360946-84-4 ]

5'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 1360952-70-0

[ 1360952-70-0 ]

7'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 83419-47-0

[ 83419-47-0 ]

6'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.97

Chemical Structure| 1399663-06-9

[ 1399663-06-9 ]

5'-Aminospiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.97

Spiroes

Chemical Structure| 13861-75-1

[ 13861-75-1 ]

Spiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 1360946-84-4

[ 1360946-84-4 ]

5'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 1360952-70-0

[ 1360952-70-0 ]

7'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.98

Chemical Structure| 83419-47-0

[ 83419-47-0 ]

6'-Methylspiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.97

Chemical Structure| 1399663-06-9

[ 1399663-06-9 ]

5'-Aminospiro[cyclopropane-1,3'-indolin]-2'-one

Similarity: 0.97

; ;