3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
TL;DR: 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine (CAS 575459-39-1) is a chemical compound with molecular formula C15H20N4OS and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylprop-2-enylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine, 3-(2-methylprop-2-enylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine, 3-[(2-methylprop-2-en-1-yl)sulfanyl]-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C15H20N4OS |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 3.1143 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.13577 |
| Heavy Atoms | 21 |
| Complexity | 636.3539 |
Chemical Identifiers
| CAS Number | 575459-39-1 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=C)C |
Product Overview
3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine (CAS 575459-39-1), with molecular formula C15H20N4OS and molecular weight 304.14 g/mol. IUPAC: 3-(2-methylprop-2-enylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
Property Insights of 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
The XLogP value of 3.1143 indicates that 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-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-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-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-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is 575459-39-1.
What is the molecular formula of 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is C15H20N4OS.
What is the molecular weight of 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is 304.14 g/mol.
Where can I buy 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-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-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-isopropoxyphenyl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.