3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide
TL;DR: 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide (CAS 311315-75-0) is a chemical compound with molecular formula C14H11BrN4S and molecular weight 345.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-bromophenyl)methylsulfanyl]-1-phenyltetrazole
Also Known As: 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide, 5-[(3-bromophenyl)methylsulfanyl]-1-phenyltetrazole, 5-((3-bromobenzyl)thio)-1-phenyl-1H-tetrazole, 5-[(3-bromobenzyl)sulfanyl]-1-phenyl-1H-tetrazole, A1200/0055265
| Molecular Formula | C14H11BrN4S |
|---|---|
| Molecular Weight | 345.99 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.98877 |
| Heavy Atoms | 20 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 311315-75-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)Br |
| InChIKey | DXQZBBWZZXLDNG-UHFFFAOYSA-N |
Product Overview
3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide (CAS 311315-75-0), with molecular formula C14H11BrN4S and molecular weight 345.99 g/mol. IUPAC: 5-[(3-bromophenyl)methylsulfanyl]-1-phenyltetrazole.
Chemical Property Profile of 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide
Property Insights of 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide
The XLogP value of 4.3 indicates that 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide. Following Lipinski's Rule of Five, 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide 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 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide?
The CAS number of 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide is 311315-75-0.
What is the molecular formula of 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide?
The molecular formula of 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide is C14H11BrN4S.
What is the molecular weight of 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide?
The molecular weight of 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide is 345.99 g/mol.
Where can I buy 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide?
You can request a quote for 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromobenzyl 1-phenyl-1H-tetraazol-5-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.