![4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid structure](/static/products/4237/423745-45-3.webp)
4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid
TL;DR: 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid (CAS 423745-45-3) is a chemical compound with molecular formula C16H13N5O3S and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid
Also Known As: BIM-0038732.P001, 4-[[2-[(1-Phenyl-1H-tetrazol-5-yl)thio]acetyl]amino]benzoic acid, 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid, 4-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)benzoic acid, 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid
| Molecular Formula | C16H13N5O3S |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 2.0913 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.0739 |
| Heavy Atoms | 25 |
| Complexity | 880.30054 |
Chemical Identifiers
| CAS Number | 423745-45-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid (CAS 423745-45-3), with molecular formula C16H13N5O3S and molecular weight 355.07 g/mol. IUPAC: 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid.
Chemical Property Profile of 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid
Property Insights of 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid
The XLogP value of 2.0913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid has 2 hydrogen bond donor(s) and 6 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-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid?
The CAS number of 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid is 423745-45-3.
What is the molecular formula of 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid?
The molecular formula of 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid is C16H13N5O3S.
What is the molecular weight of 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid?
The molecular weight of 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid is 355.07 g/mol.
Where can I buy 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid?
You can request a quote for 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]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-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.