![3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine structure](/static/products/5773/57736-81-9.webp)
3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
TL;DR: 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine (CAS 57736-81-9) is a chemical compound with molecular formula C15H22N4OS and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine, 3-((4-(isopentyloxy)benzyl)thio)-5-methyl-4H-1,2,4-triazol-4-amine, 3-methyl-5-{[4-(3-methylbutoxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
| Molecular Formula | C15H22N4OS |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 3.01752 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.15143 |
| Heavy Atoms | 21 |
| Complexity | 565.5526 |
Chemical Identifiers
| CAS Number | 57736-81-9 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC2=CC=C(C=C2)OCCC(C)C |
Product Overview
3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine (CAS 57736-81-9), with molecular formula C15H22N4OS and molecular weight 306.15 g/mol. IUPAC: 3-methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
Property Insights of 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
The XLogP value of 3.01752 indicates that 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-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-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine?
The CAS number of 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine is 57736-81-9.
What is the molecular formula of 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular formula of 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine is C15H22N4OS.
What is the molecular weight of 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular weight of 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine is 306.15 g/mol.
Where can I buy 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine?
You can request a quote for 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-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-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.