5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate
TL;DR: 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate (CAS 5471-92-1) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-2,6-dioxo-5-phenylpiperidin-3-yl) thiocyanate
Also Known As: 2-Fenil-2-etil-4-tiociano-glutarimmide, 2-Fenil-2-etil-4-tiociano-glutarimmide [Italian], 2,6-Piperidinedione, 3-ethyl-3-phenyl-5-thiocyanato, 5-21-13-00160 (Beilstein Handbook Reference), Thiocyanic acid, 2,6-dioxo-5-ethyl-5-phenyl-3-piperidinyl ester
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 5471-92-1 |
|---|---|
| SMILES | CCC1(CC(C(=O)NC1=O)SC#N)C2=CC=CC=C2 |
| InChIKey | CVFPKDGHOZFUDV-UHFFFAOYSA-N |
Product Overview
5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate (CAS 5471-92-1), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: (5-ethyl-2,6-dioxo-5-phenylpiperidin-3-yl) thiocyanate.
Chemical Property Profile of 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate
Property Insights of 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate. Following Lipinski's Rule of Five, 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate has 1 hydrogen bond donor(s) and 4 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 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate?
The CAS number of 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate is 5471-92-1.
What is the molecular formula of 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate?
The molecular formula of 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate is C14H14N2O2S.
What is the molecular weight of 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate?
The molecular weight of 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate is 274.08 g/mol.
Where can I buy 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate?
You can request a quote for 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-2-hydroxy-6-oxo-5-phenyl-3,4,5,6-tetrahydropyridin-3-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.