5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 448189-00-2) is a chemical compound with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: TimTec1_005885, A2732/0115980, 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(4-chlorobenzyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, 5-(4-Chloro-benzyl)-4-(2-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C16H14ClN3OS |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0546 |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 448189-00-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NNC2=S)CC3=CC=C(C=C3)Cl |
| InChIKey | BLVYZOALRSIBNT-UHFFFAOYSA-N |
Product Overview
5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 448189-00-2), with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.7 indicates that 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 448189-00-2.
What is the molecular formula of 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C16H14ClN3OS.
What is the molecular weight of 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 331.05 g/mol.
Where can I buy 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.