![[(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid structure](/static/products/7149/714942-01-5.webp)
[(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid
TL;DR: [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid (CAS 714942-01-5) is a chemical compound with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetic acid
Also Known As: [(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid|[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetic acid|2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetic acid|SR-01000058810-1|2-((4-Cyano-3-methylbenzo[4,5]imidazo[1,2-a]pyridin-1-yl)thio)acetic acid|2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetic acid|2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaen-13-yl}sulfanyl)acetic acid|2-(4-cyano-3-methyl-10-hydropyridino[1,6-a]benzimidazolylthio)acetic acid|2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaen-13-yl}sulfanyl)aceticacid
| Molecular Formula | C15H11N3O2S |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.8443 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0572 |
| Heavy Atoms | 21 |
| Complexity | 908.54926 |
Chemical Identifiers
| CAS Number | 714942-01-5 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)O)C#N |
Product Overview
[(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid (CAS 714942-01-5), with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol. IUPAC: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetic acid.
Chemical Property Profile of [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid
Property Insights of [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid
The XLogP value of 2.8443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 4 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 [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid?
The CAS number of [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid is 714942-01-5.
What is the molecular formula of [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid?
The molecular formula of [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid is C15H11N3O2S.
What is the molecular weight of [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid?
The molecular weight of [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid is 297.06 g/mol.
Where can I buy [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid?
You can request a quote for [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.