Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
TL;DR: Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (CAS 101184-50-3) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate
Also Known As: SF399, Benzyl 3-cyano-6-methyl-2-pyridone-5-carboxylate, Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate, Benzyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate, 1,6-Dihydro-5-cyano-2-methyl-6-oxopyridine-3-carboxylic acid benzyl ester
| Molecular Formula | C15H12N2O3 |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 1.912 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08478 |
| Heavy Atoms | 20 |
| Complexity | 727.0192 |
Chemical Identifiers
| CAS Number | 101184-50-3 |
|---|---|
| SMILES | CC1=C(C=C(C(=O)N1)C#N)C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (CAS 101184-50-3), with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol. IUPAC: benzyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
Property Insights of Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
The XLogP value of 1.912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate 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 Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate?
The CAS number of Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate is 101184-50-3.
What is the molecular formula of Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate?
The molecular formula of Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate is C15H12N2O3.
What is the molecular weight of Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate?
The molecular weight of Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate is 268.08 g/mol.
Where can I buy Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate?
You can request a quote for Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.