Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-
TL;DR: Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- (CAS 20637-21-2) 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.
6-methyl-2-oxo-4-(2-phenylethyl)-1H-pyridine-3-carbonitrile
Also Known As: 1,2-Dihydro-6-methyl-2-oxo-4-phenethylpyridine-3-carbonitrile, Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-, 2-Hydroxy-6-methyl-4-(2-phenylethyl)nicotinonitrile, 2-Hydroxy-6-methyl-4-(2-phenylethyl)nicotinonitrile #, 6-methyl-2-oxo-4-phenethyl-1H-pyridine-3-carbonitrile
| Molecular Formula | C15H14N2O |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.11061 |
| Heavy Atoms | 18 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 20637-21-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C#N)CCC2=CC=CC=C2 |
| InChIKey | VLAPOWHFXDHZSP-UHFFFAOYSA-N |
Product Overview
Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- (CAS 20637-21-2), with molecular formula C15H14N2O and molecular weight 238.11 g/mol. IUPAC: 6-methyl-2-oxo-4-(2-phenylethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-
Property Insights of Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-. With a topological polar surface area (TPSA) of 52.9 Ų, Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- 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 Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-?
The CAS number of Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- is 20637-21-2.
What is the molecular formula of Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-?
The molecular formula of Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- is C15H14N2O.
What is the molecular weight of Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-?
The molecular weight of Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- is 238.11 g/mol.
Where can I buy Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-?
You can request a quote for Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl-?
Yes, KEHONG BIO provides custom synthesis services for Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-4-phenethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.