5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 860609-52-5) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 5-acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 5-acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile, 5-acetyl-1-ethyl-6-methyl-2-oxo-pyridine-3-carbonitrile, 5-Acetyl-1-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.2509 |
| Topological Polar Surface Area | 62.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 506.5448 |
Chemical Identifiers
| CAS Number | 860609-52-5 |
|---|---|
| SMILES | CCN1C(=C(C=C(C1=O)C#N)C(=O)C)C |
Product Overview
5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 860609-52-5), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 1.2509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile. The TPSA of 62.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile has 0 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 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 860609-52-5.
What is the molecular formula of 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is C11H12N2O2.
What is the molecular weight of 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 204.09 g/mol.
Where can I buy 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.