4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 16268-25-0) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
Also Known As: BAS 00381721, J3.002.361G, 4,6,6-trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile, 2,2,4-trimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile, 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 16268-25-0 |
|---|---|
| SMILES | CC1=C(C(=O)NC(C1)(C)C)C#N |
| InChIKey | SCQOFMGAFNWKPH-UHFFFAOYSA-N |
Product Overview
4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 16268-25-0), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: 2,2,4-trimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile.
Chemical Property Profile of 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6,6-Trimethyl-2-oxo-1,2,5,6-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 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is 16268-25-0.
What is the molecular formula of 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is C9H12N2O.
What is the molecular weight of 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile is 164.09 g/mol.
Where can I buy 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 4,6,6-Trimethyl-2-oxo-1,2,5,6-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 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.