3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone
TL;DR: 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone (CAS 400074-99-9) is a chemical compound with molecular formula C17H15ClN4OS and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
Also Known As: 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone, 1-[(4-chlorophenyl)methyl]-3-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one, 1-[(4-chlorophenyl)methyl]-3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one, 3-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1-[(4-chlorophenyl)methyl]pyridin-2-one
| Molecular Formula | C17H15ClN4OS |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 3.65709 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.06552 |
| Heavy Atoms | 24 |
| Complexity | 984.8154 |
Chemical Identifiers
| CAS Number | 400074-99-9 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=CC=C(C=C3)Cl |
Product Overview
3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone (CAS 400074-99-9), with molecular formula C17H15ClN4OS and molecular weight 358.07 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one.
Chemical Property Profile of 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone
Property Insights of 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone
The XLogP value of 3.65709 indicates that 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-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, 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-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 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone?
The CAS number of 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone is 400074-99-9.
What is the molecular formula of 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone?
The molecular formula of 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone is C17H15ClN4OS.
What is the molecular weight of 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone?
The molecular weight of 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone is 358.07 g/mol.
Where can I buy 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone?
You can request a quote for 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-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 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)-2(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.