![3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine structure](/static/products/6650/665013-73-0.webp)
3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine (CAS 665013-73-0) is a chemical compound with molecular formula C18H19ClN4OS and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine, AN-465/41521144, 3-[(4-chlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
| Molecular Formula | C18H19ClN4OS |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 4.3662 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.0968 |
| Heavy Atoms | 25 |
| Complexity | 806.8456 |
Chemical Identifiers
| CAS Number | 665013-73-0 |
|---|---|
| SMILES | CCOC1=CC=CC=C1CNN2C=NN=C2SCC3=CC=C(C=C3)Cl |
Product Overview
3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine (CAS 665013-73-0), with molecular formula C18H19ClN4OS and molecular weight 374.10 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 4.3662 indicates that 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-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 51.97 Ų, 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-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-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine is 665013-73-0.
What is the molecular formula of 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine is C18H19ClN4OS.
What is the molecular weight of 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine is 374.10 g/mol.
Where can I buy 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-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-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorobenzyl)sulfanyl]-N-(2-ethoxybenzyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.