![2-Chloro-6-[cyano(phenyl)methyl]benzonitrile structure](/static/products/3387/338762-00-8.webp)
2-Chloro-6-[cyano(phenyl)methyl]benzonitrile
TL;DR: 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile (CAS 338762-00-8) is a chemical compound with molecular formula C15H9ClN2 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-[cyano(phenyl)methyl]benzonitrile
Also Known As: 2-chloro-6-[cyano(phenyl)methyl]benzonitrile, (2-Cyano-3-chlorophenyl)(phenyl)acetonitrile, 2-chloro-6-[cyano(phenyl)methyl]benzenecarbonitrile, 5H-017, 3-Chloro-2-cyano-I+/--phenylbenzeneacetonitrile
| Molecular Formula | C15H9ClN2 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 3.86716 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.04543 |
| Heavy Atoms | 18 |
| Complexity | 635.77856 |
Chemical Identifiers
| CAS Number | 338762-00-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=C(C(=CC=C2)Cl)C#N |
Product Overview
2-Chloro-6-[cyano(phenyl)methyl]benzonitrile (CAS 338762-00-8), with molecular formula C15H9ClN2 and molecular weight 252.05 g/mol. IUPAC: 2-chloro-6-[cyano(phenyl)methyl]benzonitrile.
Chemical Property Profile of 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile
Property Insights of 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile
The XLogP value of 3.86716 indicates that 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile 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-6-[cyano(phenyl)methyl]benzonitrile?
The CAS number of 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile is 338762-00-8.
What is the molecular formula of 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile?
The molecular formula of 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile is C15H9ClN2.
What is the molecular weight of 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile?
The molecular weight of 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile is 252.05 g/mol.
Where can I buy 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile?
You can request a quote for 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-[cyano(phenyl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.