![4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid structure](/static/products/3464/346464-80-0.webp)
4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid
TL;DR: 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid (CAS 346464-80-0) is a chemical compound with molecular formula C15H11BrN4O2S and molecular weight 389.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
Also Known As: 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid, 4-(5-((3-bromobenzyl)thio)-1H-tetrazol-1-yl)benzoic acid, 4-{5-[(3-bromobenzyl)thio]-1H-tetrazol-1-yl}benzoic acid, 4-{5-[(3-bromobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
| Molecular Formula | C15H11BrN4O2S |
|---|---|
| Molecular Weight | 389.98 g/mol |
| LogP | 3.4153 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.9786 |
| Heavy Atoms | 23 |
| Complexity | 835.5031 |
Chemical Identifiers
| CAS Number | 346464-80-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O |
Product Overview
4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid (CAS 346464-80-0), with molecular formula C15H11BrN4O2S and molecular weight 389.98 g/mol. IUPAC: 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid.
Chemical Property Profile of 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid
Property Insights of 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid
The XLogP value of 3.4153 indicates that 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid. Following Lipinski's Rule of Five, 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid has 1 hydrogen bond donor(s) and 5 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-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid?
The CAS number of 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid is 346464-80-0.
What is the molecular formula of 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid?
The molecular formula of 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid is C15H11BrN4O2S.
What is the molecular weight of 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid?
The molecular weight of 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid is 389.98 g/mol.
Where can I buy 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid?
You can request a quote for 4-[5-[(3-bromophenyl)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 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.