![2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone structure](/static/products/6944/694498-18-5.webp)
2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
TL;DR: 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone (CAS 694498-18-5) is a chemical compound with molecular formula C23H19ClN4OS and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone, 2-{[5-(4-aminophenyl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone, 2-{[5-(4-AMINOPHENYL)-4-BENZYL-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-CHLOROPHENYL)ETHANONE
| Molecular Formula | C23H19ClN4OS |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 5.204 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.0968 |
| Heavy Atoms | 30 |
| Complexity | 1142.3088 |
Chemical Identifiers
| CAS Number | 694498-18-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N |
Product Overview
2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone (CAS 694498-18-5), with molecular formula C23H19ClN4OS and molecular weight 434.10 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Property Insights of 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
The XLogP value of 5.204 indicates that 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone. Following Lipinski's Rule of Five, 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone?
The CAS number of 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone is 694498-18-5.
What is the molecular formula of 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone?
The molecular formula of 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone is C23H19ClN4OS.
What is the molecular weight of 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone?
The molecular weight of 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone is 434.10 g/mol.
Where can I buy 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone?
You can request a quote for 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-aminophenyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.