4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid
TL;DR: 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid (CAS 310418-48-5) is a chemical compound with molecular formula C16H14N4O3S and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
Also Known As: A2081/0087524, 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid, 4-{5-[(4-methoxybenzyl)thio]-1H-tetrazol-1-yl}benzoic acid, 4-[5-[(4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid, 4-{5-[(4-methoxybenzyl)sulfanyl]-1H-tetraazol-1-yl}benzoic acid
| Molecular Formula | C16H14N4O3S |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.07867 |
| Heavy Atoms | 24 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 310418-48-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O |
| InChIKey | KJUUEBYKNZHOQU-UHFFFAOYSA-N |
Product Overview
4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid (CAS 310418-48-5), with molecular formula C16H14N4O3S and molecular weight 342.08 g/mol. IUPAC: 4-[5-[(4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid.
Chemical Property Profile of 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid
Property Insights of 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid
The XLogP value of 3.1 indicates that 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 7 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-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The CAS number of 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid is 310418-48-5.
What is the molecular formula of 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The molecular formula of 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid is C16H14N4O3S.
What is the molecular weight of 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The molecular weight of 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid is 342.08 g/mol.
Where can I buy 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid?
You can request a quote for 4-(5-((4-methoxybenzyl)thio)-1H-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 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.