5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole
TL;DR: 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole (CAS 923864-44-2) is a chemical compound with molecular formula C10H11BrN4OS and molecular weight 313.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1-methyltetrazole
Also Known As: AB00984367-01, 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole, 5-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1-methyltetrazole
| Molecular Formula | C10H11BrN4OS |
|---|---|
| Molecular Weight | 313.98 g/mol |
| LogP | 2.2735 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.9837 |
| Heavy Atoms | 17 |
| Complexity | 516.757 |
Chemical Identifiers
| CAS Number | 923864-44-2 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(C=CC(=C2)Br)OC |
Product Overview
5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole (CAS 923864-44-2), with molecular formula C10H11BrN4OS and molecular weight 313.98 g/mol. IUPAC: 5-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1-methyltetrazole.
Chemical Property Profile of 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole
Property Insights of 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole
The XLogP value of 2.2735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole. With a topological polar surface area (TPSA) of 52.83 Ų, 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole has 0 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 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole?
The CAS number of 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole is 923864-44-2.
What is the molecular formula of 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole?
The molecular formula of 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole is C10H11BrN4OS.
What is the molecular weight of 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole?
The molecular weight of 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole is 313.98 g/mol.
Where can I buy 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole?
You can request a quote for 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-((5-Bromo-2-methoxybenzyl)thio)-1-methyl-1h-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.