1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone
TL;DR: 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone (CAS 242472-12-4) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
Also Known As: 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone, 10E-390S, 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one, 1-benzyl-5-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one, 1-benzyl-5-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyridin-2-one
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.83759 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 892.25446 |
Chemical Identifiers
| CAS Number | 242472-12-4 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CN(C(=O)C=C2)CC3=CC=CC=C3 |
Product Overview
1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone (CAS 242472-12-4), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: 1-benzyl-5-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one.
Chemical Property Profile of 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone
Property Insights of 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone
The XLogP value of 2.83759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone. With a topological polar surface area (TPSA) of 55.61 Ų, 1-benzyl-5-(4-ethyl-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-benzyl-5-(4-ethyl-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-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
The CAS number of 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone is 242472-12-4.
What is the molecular formula of 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
The molecular formula of 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone is C16H16N4OS.
What is the molecular weight of 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
The molecular weight of 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone is 312.10 g/mol.
Where can I buy 1-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
You can request a quote for 1-benzyl-5-(4-ethyl-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-benzyl-5-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-(4-ethyl-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.