2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 478081-46-8) is a chemical compound with molecular formula C12H9ClN2O and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 2-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 8P-073, 6-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
| Molecular Formula | C12H9ClN2O |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 2.48468 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.04034 |
| Heavy Atoms | 16 |
| Complexity | 496.7452 |
Chemical Identifiers
| CAS Number | 478081-46-8 |
|---|---|
| SMILES | C1CC(=O)NC(=C1C#N)C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 478081-46-8), with molecular formula C12H9ClN2O and molecular weight 232.04 g/mol. IUPAC: 6-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 2.48468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is 478081-46-8.
What is the molecular formula of 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is C12H9ClN2O.
What is the molecular weight of 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is 232.04 g/mol.
Where can I buy 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.