![2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile structure](/static/products/3389/338953-31-4.webp)
2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile
TL;DR: 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile (CAS 338953-31-4) is a chemical compound with molecular formula C15H8Cl2N2 and molecular weight 286.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-[(4-chlorophenyl)-cyanomethyl]benzonitrile
Also Known As: 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile, 2-Chloro-6-((4-chlorophenyl)(cyano)methyl)benzonitrile, 0769AE, 2-chloro-6-[(4-chlorophenyl)(cyano)methyl]benzonitrile, 2-chloro-6-[(4-chlorophenyl)-cyanomethyl]benzonitrile
| Molecular Formula | C15H8Cl2N2 |
|---|---|
| Molecular Weight | 286.01 g/mol |
| LogP | 4.52056 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.00644 |
| Heavy Atoms | 19 |
| Complexity | 678.7723 |
Chemical Identifiers
| CAS Number | 338953-31-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C#N)C(C#N)C2=CC=C(C=C2)Cl |
Product Overview
2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile (CAS 338953-31-4), with molecular formula C15H8Cl2N2 and molecular weight 286.01 g/mol. IUPAC: 2-chloro-6-[(4-chlorophenyl)-cyanomethyl]benzonitrile.
Chemical Property Profile of 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile
Property Insights of 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile
The XLogP value of 4.52056 indicates that 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile 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-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile 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-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile?
The CAS number of 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile is 338953-31-4.
What is the molecular formula of 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile?
The molecular formula of 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile is C15H8Cl2N2.
What is the molecular weight of 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile?
The molecular weight of 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile is 286.01 g/mol.
Where can I buy 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile?
You can request a quote for 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile 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-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-[(4-chlorophenyl)(cyano)methyl]-benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.