![3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine structure](/static/products/1164/1164565-22-3.webp)
3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine
TL;DR: 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine (CAS 1164565-22-3) is a chemical compound with molecular formula C18H17ClN4S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine
Also Known As: 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine, AN-465/41519593, 3-[(2-chlorophenyl)methylsulfanyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine, 3-[(2-chlorobenzyl)sulfanyl]-N-[(2E)-3-phenylprop-2-en-1-yl]-4H-1,2,4-triazol-4-amine, 3-[(2-chlorobenzyl)thio]-N-(3-phenyl-2-propen-1-yl)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C18H17ClN4S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 4.4807 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.08624 |
| Heavy Atoms | 24 |
| Complexity | 801.54315 |
Chemical Identifiers
| CAS Number | 1164565-22-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CNN2C=NN=C2SCC3=CC=CC=C3Cl |
Product Overview
3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine (CAS 1164565-22-3), with molecular formula C18H17ClN4S and molecular weight 356.09 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine
Property Insights of 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine
The XLogP value of 4.4807 indicates that 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 4 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-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine?
The CAS number of 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine is 1164565-22-3.
What is the molecular formula of 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine is C18H17ClN4S.
What is the molecular weight of 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine is 356.09 g/mol.
Where can I buy 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-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-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-chlorobenzyl)sulfanyl]-N-cinnamyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.