![3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine structure](/static/products/577/57736-71-7.png)
3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine
TL;DR: 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine (CAS 57736-71-7) is a chemical compound with molecular formula C13H18N4OS and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-butoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: BAS 00609158, 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine, 3-[(4-butoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-((4-butoxybenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-[(4-butoxybenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C13H18N4OS |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.12012 |
| Heavy Atoms | 19 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 57736-71-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CSC2=NN=CN2N |
| InChIKey | LXRYRBCIOJKJKJ-UHFFFAOYSA-N |
Product Overview
3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine (CAS 57736-71-7), with molecular formula C13H18N4OS and molecular weight 278.12 g/mol. IUPAC: 3-[(4-butoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine
Property Insights of 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine. Following Lipinski's Rule of Five, 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine 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-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine?
The CAS number of 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine is 57736-71-7.
What is the molecular formula of 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine?
The molecular formula of 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine is C13H18N4OS.
What is the molecular weight of 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine?
The molecular weight of 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine is 278.12 g/mol.
Where can I buy 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine?
You can request a quote for 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Butoxy-benzylsulfanyl)-[1,2,4]triazol-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.