![3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid structure](/static/products/6341/634172-13-7.webp)
3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
TL;DR: 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid (CAS 634172-13-7) is a chemical compound with molecular formula C15H11ClN4O2S and molecular weight 346.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(2-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
Also Known As: 3-[5-[(2-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid, AN-465/42154441, 3-{5-[(2-chlorobenzyl)thio]-1H-tetrazol-1-yl}benzoic acid, 3-{5-[(2-chlorobenzyl)sulfanyl]-1H-tetraazol-1-yl}benzoic acid, 3-(5-((2-chlorobenzyl)thio)-1H-tetrazol-1-yl)benzoic acid
| Molecular Formula | C15H11ClN4O2S |
|---|---|
| Molecular Weight | 346.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0291 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 634172-13-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)O)Cl |
| InChIKey | JEMZGUAXODUYCV-UHFFFAOYSA-N |
Product Overview
3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid (CAS 634172-13-7), with molecular formula C15H11ClN4O2S and molecular weight 346.03 g/mol. IUPAC: 3-[5-[(2-chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid.
Chemical Property Profile of 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
Property Insights of 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
The XLogP value of 3.7 indicates that 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]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 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]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 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid?
The CAS number of 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid is 634172-13-7.
What is the molecular formula of 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid?
The molecular formula of 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid is C15H11ClN4O2S.
What is the molecular weight of 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid?
The molecular weight of 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid is 346.03 g/mol.
Where can I buy 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid?
You can request a quote for 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[(2-Chlorophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.