![4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid structure](/static/products/861/86109-64-0.png)
4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid
TL;DR: 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid (CAS 86109-64-0) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoic acid
Also Known As: 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid, VU0509453-1, VU0509453-2, 4-(2-benzimidazol-2-ylthioacetylamino)benzoic acid, 4-(2-((1H-benzo[d]imidazol-2-yl)thio)acetamido)benzoic acid
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.9919 |
| Topological Polar Surface Area | 95.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 825.39276 |
Chemical Identifiers
| CAS Number | 86109-64-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid (CAS 86109-64-0), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoic acid.
Chemical Property Profile of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid
Property Insights of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid
The XLogP value of 2.9919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid. The TPSA of 95.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid has 3 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-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid?
The CAS number of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid is 86109-64-0.
What is the molecular formula of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid?
The molecular formula of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid is C16H13N3O3S.
What is the molecular weight of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid?
The molecular weight of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid is 327.07 g/mol.
Where can I buy 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid?
You can request a quote for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.