![N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine structure](/static/products/6650/665013-74-1.webp)
N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine
TL;DR: N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine (CAS 665013-74-1) is a chemical compound with molecular formula C16H15ClN4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: AN-465/41521187, N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine, N-benzyl-3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, N-benzyl-3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, N-benzyl-3-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine
| Molecular Formula | C16H15ClN4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 3.9675 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.0706 |
| Heavy Atoms | 22 |
| Complexity | 729.77545 |
Chemical Identifiers
| CAS Number | 665013-74-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNN2C=NN=C2SCC3=CC=CC=C3Cl |
Product Overview
N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine (CAS 665013-74-1), with molecular formula C16H15ClN4S and molecular weight 330.07 g/mol. IUPAC: N-benzyl-3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine
Property Insights of N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine
The XLogP value of 3.9675 indicates that N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}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, N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}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 N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
The CAS number of N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine is 665013-74-1.
What is the molecular formula of N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
The molecular formula of N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine is C16H15ClN4S.
What is the molecular weight of N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
The molecular weight of N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine is 330.07 g/mol.
Where can I buy N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
You can request a quote for N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N-{3-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.