5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 522597-62-2) is a chemical compound with molecular formula C15H14N4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylquinolin-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 4-Allyl-3-(2-methyl-4-quinolyl)-1H-1,2,4-triazole-5(4H)-thione, 5-(2-methyl(4-quinolyl))-4-prop-2-enyl-1,2,4-triazole-3-thiol, 3-(2-methylquinolin-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-(2-methylquinolin-4-yl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C15H14N4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.65031 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0939 |
| Heavy Atoms | 20 |
| Complexity | 844.4459 |
Chemical Identifiers
| CAS Number | 522597-62-2 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1)C3=NNC(=S)N3CC=C |
Product Overview
5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 522597-62-2), with molecular formula C15H14N4S and molecular weight 282.09 g/mol. IUPAC: 3-(2-methylquinolin-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.65031 indicates that 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is 522597-62-2.
What is the molecular formula of 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is C15H14N4S.
What is the molecular weight of 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is 282.09 g/mol.
Where can I buy 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-methylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.