![3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole structure](/static/products/5773/57736-54-6.webp)
3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole
TL;DR: 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole (CAS 57736-54-6) is a chemical compound with molecular formula C14H19N3OS and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole
Also Known As: BAS 00297148, 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole, 3-[(4-butoxybenzyl)thio]-5-methyl-4H-1,2,4-triazole, 3-((4-butoxybenzyl)thio)-5-methyl-4H-1,2,4-triazole, 3-(4-Butoxy-benzylsulfanyl)-5-methyl-4H-[1,2,4]triazole
| Molecular Formula | C14H19N3OS |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 3.58432 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.12488 |
| Heavy Atoms | 19 |
| Complexity | 495.64713 |
Chemical Identifiers
| CAS Number | 57736-54-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)C |
Product Overview
3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole (CAS 57736-54-6), with molecular formula C14H19N3OS and molecular weight 277.12 g/mol. IUPAC: 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole
Property Insights of 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole
The XLogP value of 3.58432 indicates that 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-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-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-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-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole?
The CAS number of 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole is 57736-54-6.
What is the molecular formula of 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole?
The molecular formula of 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole is C14H19N3OS.
What is the molecular weight of 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole?
The molecular weight of 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole is 277.12 g/mol.
Where can I buy 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole?
You can request a quote for 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-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-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-butoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.