3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile
TL;DR: 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile (CAS 39713-25-2) is a chemical compound with molecular formula C15H14N2O and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile
Also Known As: 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile, 3-acetyl-1-benzyl-1,4-dihydropyridine-4-carbonitrile, RefChem:276163
| Molecular Formula | C15H14N2O |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.11061 |
| Heavy Atoms | 18 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 39713-25-2 |
|---|---|
| SMILES | CC(=O)C1=CN(C=CC1C#N)CC2=CC=CC=C2 |
| InChIKey | MYSKOXFUCHICNX-UHFFFAOYSA-N |
Product Overview
3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile (CAS 39713-25-2), with molecular formula C15H14N2O and molecular weight 238.11 g/mol. IUPAC: 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile.
Chemical Property Profile of 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile
Property Insights of 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-1-benzyl-4H-pyridine-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-benzyl-4H-pyridine-4-carbonitrile?
The CAS number of 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile is 39713-25-2.
What is the molecular formula of 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile?
The molecular formula of 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile is C15H14N2O.
What is the molecular weight of 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile?
The molecular weight of 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile is 238.11 g/mol.
Where can I buy 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile?
You can request a quote for 3-acetyl-1-benzyl-4H-pyridine-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-benzyl-4H-pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-benzyl-4H-pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.