![3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one structure](/static/products/7122/712270-97-8.webp)
3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
TL;DR: 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one (CAS 712270-97-8) is a chemical compound with molecular formula C18H13N5O3S and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
Also Known As: 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one, BRD-K44913497-001-01-5, 3H-1,2,4-Triazol-3-one,2,4-dihydro-5-[[2-oxo-2-(3-phenyl-5-isoxazolyl)ethyl]thio]-4-(3-pyridinyl)-, 2-{[5-hydroxy-4-4h-1,2,4-triazol-3-yl]sulfanyl}-1-1-ethanone, 3-((2-Oxo-2-(3-phenylisoxazol-5-yl)ethyl)thio)-4-(pyridin-3-yl)-1H-1,2,4-triazol-5(4H)-one
| Molecular Formula | C18H13N5O3S |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 2.5856 |
| Topological Polar Surface Area | 106.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.0739 |
| Heavy Atoms | 27 |
| Complexity | 1118.6268 |
Chemical Identifiers
| CAS Number | 712270-97-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)C(=O)CSC3=NNC(=O)N3C4=CN=CC=C4 |
Product Overview
3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one (CAS 712270-97-8), with molecular formula C18H13N5O3S and molecular weight 379.07 g/mol. IUPAC: 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
Property Insights of 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
The XLogP value of 2.5856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one. The TPSA of 106.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one. Following Lipinski's Rule of Five, 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one has 1 hydrogen bond donor(s) and 7 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-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one?
The CAS number of 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one is 712270-97-8.
What is the molecular formula of 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one?
The molecular formula of 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one is C18H13N5O3S.
What is the molecular weight of 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one?
The molecular weight of 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one is 379.07 g/mol.
Where can I buy 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one?
You can request a quote for 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.