Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-
TL;DR: Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl- (CAS 54185-74-9) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carbonitrile
Also Known As: NCIOpen2_003195, 6-Phenethyl-3-cyan-2-pyridon, Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-, 2-oxo-6-(2-phenylethyl)-1,2-dihydropyridine-3-carbonitrile, 2-Hydroxy-6-(2-phenylethyl)nicotinonitrile #
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 54185-74-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=CC=C(C(=O)N2)C#N |
| InChIKey | QMRWISYGJVWXBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl- (CAS 54185-74-9), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-
Property Insights of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-. With a topological polar surface area (TPSA) of 52.9 Ų, Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinonitrile, 1,2-dihydro-2-oxo-6-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-2-oxo-6-phenethyl-?
The CAS number of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl- is 54185-74-9.
What is the molecular formula of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-?
The molecular formula of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl- is C14H12N2O.
What is the molecular weight of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-?
The molecular weight of Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl- is 224.09 g/mol.
Where can I buy Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-?
You can request a quote for Nicotinonitrile, 1,2-dihydro-2-oxo-6-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-2-oxo-6-phenethyl-?
Yes, KEHONG BIO provides custom synthesis services for Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.