3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid
TL;DR: 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid (CAS 852940-47-7) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid
Also Known As: 3-(5-cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid, 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic Acid, 3-Pyridinepropanoic acid, 5-cyano-1,6-dihydro-2,4-dimethyl-6-oxo-, 3-(5-cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoicacid, 100-017-4
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 0.88062 |
| Topological Polar Surface Area | 93.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 523.25684 |
Chemical Identifiers
| CAS Number | 852940-47-7 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=C1CCC(=O)O)C)C#N |
Product Overview
3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid (CAS 852940-47-7), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid.
Chemical Property Profile of 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid
Property Insights of 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid
The XLogP value of 0.88062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid has 2 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 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid?
The CAS number of 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid is 852940-47-7.
What is the molecular formula of 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid?
The molecular formula of 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid is C11H12N2O3.
What is the molecular weight of 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid?
The molecular weight of 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid is 220.08 g/mol.
Where can I buy 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid?
You can request a quote for 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Cyano-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.