1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile
TL;DR: 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile (CAS 58600-86-5) is a chemical compound with molecular formula C18H14N2O and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-4,6-diphenyl-3,4-dihydro-1H-pyridine-3-carbonitrile
Also Known As: 2-oxo-4,6-diphenyl-3,4-dihydro-1H-pyridine-3-carbonitrile, 3-cyano-4,6-diphenyl-3,4-dihydropyridin-2-one, 2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile, 1,2,3,4-TETRAHYDRO-2-OXO-4,6-DIPHENYLNICOTINONITRILE, 2-Oxo-3-cyano-4,6-diphenyl-1,2,3,4-tetrahydropyridin
| Molecular Formula | C18H14N2O |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.11063 |
| Heavy Atoms | 21 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 58600-86-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C=C(NC(=O)C2C#N)C3=CC=CC=C3 |
| InChIKey | ZYDHIVUWAYWSKJ-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile (CAS 58600-86-5), with molecular formula C18H14N2O and molecular weight 274.11 g/mol. IUPAC: 2-oxo-4,6-diphenyl-3,4-dihydro-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile
Property Insights of 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile
The XLogP value of 3.0 indicates that 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile 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 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile?
The CAS number of 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile is 58600-86-5.
What is the molecular formula of 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile?
The molecular formula of 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile is C18H14N2O.
What is the molecular weight of 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile?
The molecular weight of 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile is 274.11 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile?
You can request a quote for 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-2-oxo-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.