3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile
TL;DR: 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile (CAS 67482-93-3) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-methyl-4H-pyridine-4-carbonitrile
Also Known As: 3-acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile, 3-acetyl-1-methyl-4H-pyridine-4-carbonitrile, 4-pyridinecarbonitrile,3-acetyl-1,4-dihydro-1-methyl-, 4-Pyridinecarbonitrile, 3-acetyl-1,4-dihydro-1-methyl- (9CI), 4-PYRIDINECARBONITRILE, 3-ACETYL-1,4-DIHYDRO-1-METHYL-
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 67482-93-3 |
|---|---|
| SMILES | CC(=O)C1=CN(C=CC1C#N)C |
| InChIKey | CXFGTUVQQLLCSN-UHFFFAOYSA-N |
Product Overview
3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile (CAS 67482-93-3), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 3-acetyl-1-methyl-4H-pyridine-4-carbonitrile.
Chemical Property Profile of 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile
Property Insights of 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile 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 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile?
The CAS number of 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile is 67482-93-3.
What is the molecular formula of 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile?
The molecular formula of 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile is C9H10N2O.
What is the molecular weight of 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile?
The molecular weight of 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile is 162.08 g/mol.
Where can I buy 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile?
You can request a quote for 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-1-methyl-1,4-dihydropyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.