(2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide
TL;DR: (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide (CAS 832686-41-6) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)prop-2-enethioamide
Also Known As: (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide, (E)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)prop-2-enethioamide, 2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-propenethioamide, (2E)-2-(aminothioxomethyl)-3-(1,3-dimethyl-2-oxo(3-hydrobenzimidazol-5-yl))pro p-2-enenitrile, (E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)prop-2-enethioamide
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.07008 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 804.3832 |
Chemical Identifiers
| CAS Number | 832686-41-6 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)/C=C(\C#N)/C(=S)N)N(C1=O)C |
Product Overview
(2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide (CAS 832686-41-6), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: (E)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)prop-2-enethioamide.
Chemical Property Profile of (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide
Property Insights of (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide
The XLogP value of 1.07008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide?
The CAS number of (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide is 832686-41-6.
What is the molecular formula of (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide?
The molecular formula of (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide is C13H12N4OS.
What is the molecular weight of (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide?
The molecular weight of (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide is 272.07 g/mol.
Where can I buy (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide?
You can request a quote for (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.