![5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole structure](/static/products/4296/429653-27-0.webp)
5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole
TL;DR: 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole (CAS 429653-27-0) is a chemical compound with molecular formula C14H9BrClFN4S and molecular weight 397.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-bromophenyl)methylsulfanyl]-1-(3-chloro-4-fluorophenyl)tetrazole
Also Known As: 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole, AM-879/40742651, 5-[(3-bromophenyl)methylsulfanyl]-1-(3-chloro-4-fluorophenyl)tetrazole
| Molecular Formula | C14H9BrClFN4S |
|---|---|
| Molecular Weight | 397.94 g/mol |
| LogP | 4.5096 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.9404 |
| Heavy Atoms | 22 |
| Complexity | 811.0419 |
Chemical Identifiers
| CAS Number | 429653-27-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CSC2=NN=NN2C3=CC(=C(C=C3)F)Cl |
Product Overview
5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole (CAS 429653-27-0), with molecular formula C14H9BrClFN4S and molecular weight 397.94 g/mol. IUPAC: 5-[(3-bromophenyl)methylsulfanyl]-1-(3-chloro-4-fluorophenyl)tetrazole.
Chemical Property Profile of 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole
Property Insights of 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole
The XLogP value of 4.5096 indicates that 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole has 0 hydrogen bond donor(s) and 4 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 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole?
The CAS number of 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole is 429653-27-0.
What is the molecular formula of 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole?
The molecular formula of 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole is C14H9BrClFN4S.
What is the molecular weight of 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole?
The molecular weight of 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole is 397.94 g/mol.
Where can I buy 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole?
You can request a quote for 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-bromobenzyl)sulfanyl]-1-(3-chloro-4-fluorophenyl)-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.