![3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine structure](/static/products/3318/331837-72-0.webp)
3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
TL;DR: 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine (CAS 331837-72-0) is a chemical compound with molecular formula C12H15BrN4OS and molecular weight 342.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
Also Known As: BAS 00609202, 3-[(3-bromo-4-methoxybenzyl)sulfanyl]-5-ethyl-4H-1,2,4-triazol-4-amine, 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine, 3-((3-bromo-4-methoxybenzyl)thio)-5-ethyl-4H-1,2,4-triazol-4-amine, 3-(3-Bromo-4-methoxy-benzylsulfanyl)-5-ethyl-[1,2,4]triazol-4-ylamine
| Molecular Formula | C12H15BrN4OS |
|---|---|
| Molecular Weight | 342.01 g/mol |
| LogP | 2.6177 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.01498 |
| Heavy Atoms | 19 |
| Complexity | 572.8522 |
Chemical Identifiers
| CAS Number | 331837-72-0 |
|---|---|
| SMILES | CCC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)Br |
Product Overview
3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine (CAS 331837-72-0), with molecular formula C12H15BrN4OS and molecular weight 342.01 g/mol. IUPAC: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
Property Insights of 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
The XLogP value of 2.6177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine. The TPSA of 65.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine 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 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The CAS number of 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine is 331837-72-0.
What is the molecular formula of 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The molecular formula of 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine is C12H15BrN4OS.
What is the molecular weight of 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The molecular weight of 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine is 342.01 g/mol.
Where can I buy 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
You can request a quote for 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.