1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone
TL;DR: 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone (CAS 677749-35-8) is a chemical compound with molecular formula C20H15ClN4OS and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
Also Known As: 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone, 1-[(3-chlorophenyl)methyl]-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one, 1-(3-chlorobenzyl)-3-(1-phenyl-5-sulfanyl-4H-1lambda~5~,2,4-triazol-3-yl)-2(1H)-pyridinone, 1-[(3-chlorophenyl)methyl]-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one, 1-[(3-chlorophenyl)methyl]-3-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyridin-2-one
| Molecular Formula | C20H15ClN4OS |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 4.46029 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.06552 |
| Heavy Atoms | 27 |
| Complexity | 1210.3864 |
Chemical Identifiers
| CAS Number | 677749-35-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CN(C3=O)CC4=CC(=CC=C4)Cl |
Product Overview
1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone (CAS 677749-35-8), with molecular formula C20H15ClN4OS and molecular weight 394.07 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one.
Chemical Property Profile of 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone
Property Insights of 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone
The XLogP value of 4.46029 indicates that 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone has 1 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)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
The CAS number of 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone is 677749-35-8.
What is the molecular formula of 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
The molecular formula of 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone is C20H15ClN4OS.
What is the molecular weight of 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
The molecular weight of 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone is 394.07 g/mol.
Where can I buy 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
You can request a quote for 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone 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)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorobenzyl)-3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.