![2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid structure](/static/products/6809/680986-99-6.webp)
2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid
TL;DR: 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid (CAS 680986-99-6) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid
Also Known As: 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid, J2.003.015A, 2-[({10-cyano-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaen-11-yl}methyl)sulfanyl]acetic acid, {[(4-cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)methyl]thio}acetic acid, 2-[({10-cyano-13-oxo-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaen-11-yl}methyl)sulfanyl]acetic acid
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 1.97028 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 981.256 |
Chemical Identifiers
| CAS Number | 680986-99-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC3=C(C(=CC(=O)N23)CSCC(=O)O)C#N |
Product Overview
2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid (CAS 680986-99-6), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid
Property Insights of 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid
The XLogP value of 1.97028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid has 2 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 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid?
The CAS number of 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid is 680986-99-6.
What is the molecular formula of 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid?
The molecular formula of 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid is C15H11N3O3S.
What is the molecular weight of 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid?
The molecular weight of 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid is 313.05 g/mol.
Where can I buy 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid?
You can request a quote for 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.