1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole
TL;DR: 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole (CAS 307545-29-5) is a chemical compound with molecular formula C16H13Cl2N3S and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole, 1-(3-chlorobenzyl)-5-[(3-chlorobenzyl)thio]-1H-1,2,4-triazole, 1-[(3-chlorophenyl)methyl]-5-[(3-chlorophenyl)methylthio]-1,2,4-triazole, 1-[(3-chlorophenyl)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazole
| Molecular Formula | C16H13Cl2N3S |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 4.9255 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.02072 |
| Heavy Atoms | 22 |
| Complexity | 773.3423 |
Chemical Identifiers
| CAS Number | 307545-29-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CN2C(=NC=N2)SCC3=CC(=CC=C3)Cl |
Product Overview
1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole (CAS 307545-29-5), with molecular formula C16H13Cl2N3S and molecular weight 349.02 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole
Property Insights of 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole
The XLogP value of 4.9255 indicates that 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-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 30.71 Ų, 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole has 0 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 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole?
The CAS number of 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole is 307545-29-5.
What is the molecular formula of 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole?
The molecular formula of 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole is C16H13Cl2N3S.
What is the molecular weight of 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole?
The molecular weight of 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole is 349.02 g/mol.
Where can I buy 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole?
You can request a quote for 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-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 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorobenzyl)-5-((3-chlorobenzyl)thio)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.