![3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole structure](/static/products/577/57736-61-5.png)
3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole
TL;DR: 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole (CAS 57736-61-5) is a chemical compound with molecular formula C15H21N3OS and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-butoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
Also Known As: 3-((4-butoxybenzyl)thio)-5-ethyl-4H-1,2,4-triazole, 3-[(4-butoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole, 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole, 3-[(4-butoxybenzyl)sulfanyl]-5-ethyl-4H-1,2,4-triazole, butyl 4-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl ether
| Molecular Formula | C15H21N3OS |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 3.8383 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.14053 |
| Heavy Atoms | 20 |
| Complexity | 510.0921 |
Chemical Identifiers
| CAS Number | 57736-61-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)CC |
Product Overview
3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole (CAS 57736-61-5), with molecular formula C15H21N3OS and molecular weight 291.14 g/mol. IUPAC: 3-[(4-butoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole
Property Insights of 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole
The XLogP value of 3.8383 indicates that 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole has 1 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-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole?
The CAS number of 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole is 57736-61-5.
What is the molecular formula of 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole?
The molecular formula of 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole is C15H21N3OS.
What is the molecular weight of 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole?
The molecular weight of 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole is 291.14 g/mol.
Where can I buy 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole?
You can request a quote for 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole 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)-5-ethyl-4H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Butoxy-benzylsulfanyl)-5-ethyl-4H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.