![3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole structure](/static/products/577/57736-57-9.png)
3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole
TL;DR: 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole (CAS 57736-57-9) 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.
5-methyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole, 3-((4-(isopentyloxy)benzyl)thio)-5-methyl-4H-1,2,4-triazole, 3-methyl-5-{[4-(3-methylbutoxy)benzyl]sulfanyl}-1H-1,2,4-triazole, 5-methyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole
| Molecular Formula | C15H21N3OS |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 3.83032 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.14053 |
| Heavy Atoms | 20 |
| Complexity | 522.1698 |
Chemical Identifiers
| CAS Number | 57736-57-9 |
|---|---|
| SMILES | CC1=NC(=NN1)SCC2=CC=C(C=C2)OCCC(C)C |
Product Overview
3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole (CAS 57736-57-9), with molecular formula C15H21N3OS and molecular weight 291.14 g/mol. IUPAC: 5-methyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole
Property Insights of 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole
The XLogP value of 3.83032 indicates that 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-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-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-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-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
The CAS number of 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole is 57736-57-9.
What is the molecular formula of 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
The molecular formula of 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole is C15H21N3OS.
What is the molecular weight of 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
The molecular weight of 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole is 291.14 g/mol.
Where can I buy 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
You can request a quote for 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-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-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.