![4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid structure](/static/products/337/337920-44-2.png)
4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid
TL;DR: 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid (CAS 337920-44-2) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid
Also Known As: 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid, A1998/0083926, 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid, 4-[(1-phenyl-1,2,3,4-tetraazol-5-ylthio)methyl]benzoic acid, 4-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}benzoic acid
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 337920-44-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O |
| InChIKey | ZBZGROSUAMJLFK-UHFFFAOYSA-N |
Product Overview
4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid (CAS 337920-44-2), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid
Property Insights of 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid
The XLogP value of 3.1 indicates that 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid has 1 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)sulfanyl]methyl}benzoic acid?
The CAS number of 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid is 337920-44-2.
What is the molecular formula of 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid?
The molecular formula of 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid is C15H12N4O2S.
What is the molecular weight of 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid?
The molecular weight of 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid is 312.07 g/mol.
Where can I buy 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid?
You can request a quote for 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}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)sulfanyl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.