2-Chloro-4,6-diphenylnicotinonitrile
TL;DR: 2-Chloro-4,6-diphenylnicotinonitrile (CAS 4604-05-1) is a chemical compound with molecular formula C18H11ClN2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4,6-diphenylpyridine-3-carbonitrile
Also Known As: 2-chloro-4,6-diphenylnicotinonitrile, 2-Chloro-4,6-diphenyl-nicotinonitrile, 2-chloro-4,6-diphenylpyridine-3-carbonitrile, 2-chloro-3-cyano-4,6-diphenylpyridine, 2-chloro-3-cyano-4,6-diphenyl-pyridine
| Molecular Formula | C18H11ClN2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.06107 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 4604-05-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)Cl)C3=CC=CC=C3 |
| InChIKey | KLRQTZHBYODVTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4,6-diphenylnicotinonitrile (CAS 4604-05-1), with molecular formula C18H11ClN2 and molecular weight 290.06 g/mol. IUPAC: 2-chloro-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-Chloro-4,6-diphenylnicotinonitrile
Property Insights of 2-Chloro-4,6-diphenylnicotinonitrile
The XLogP value of 4.8 indicates that 2-Chloro-4,6-diphenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, 2-Chloro-4,6-diphenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4,6-diphenylnicotinonitrile has 0 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 2-Chloro-4,6-diphenylnicotinonitrile?
The CAS number of 2-Chloro-4,6-diphenylnicotinonitrile is 4604-05-1.
What is the molecular formula of 2-Chloro-4,6-diphenylnicotinonitrile?
The molecular formula of 2-Chloro-4,6-diphenylnicotinonitrile is C18H11ClN2.
What is the molecular weight of 2-Chloro-4,6-diphenylnicotinonitrile?
The molecular weight of 2-Chloro-4,6-diphenylnicotinonitrile is 290.06 g/mol.
Where can I buy 2-Chloro-4,6-diphenylnicotinonitrile?
You can request a quote for 2-Chloro-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 2-Chloro-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.