![2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile structure](/static/products/3390/339012-97-4.webp)
2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile
TL;DR: 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile (CAS 339012-97-4) is a chemical compound with molecular formula C15H8ClFN2 and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)-cyanomethyl]-6-fluorobenzonitrile
Also Known As: 2-[(2-chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile, 2-[(2-chlorophenyl)(cyano)methyl]-6-fluorobenzonitrile, 2-[(2-chlorophenyl)-cyanomethyl]-6-fluorobenzonitrile, 7K-012, 2-[(2-chlorophenyl)-cyano-methyl]-6-fluoro-benzonitrile
| Molecular Formula | C15H8ClFN2 |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 4.00626 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.036 |
| Heavy Atoms | 19 |
| Complexity | 698.0223 |
Chemical Identifiers
| CAS Number | 339012-97-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C#N)C2=C(C(=CC=C2)F)C#N)Cl |
Product Overview
2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile (CAS 339012-97-4), with molecular formula C15H8ClFN2 and molecular weight 270.04 g/mol. IUPAC: 2-[(2-chlorophenyl)-cyanomethyl]-6-fluorobenzonitrile.
Chemical Property Profile of 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile
Property Insights of 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile
The XLogP value of 4.00626 indicates that 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile 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-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile 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-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile?
The CAS number of 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile is 339012-97-4.
What is the molecular formula of 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile?
The molecular formula of 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile is C15H8ClFN2.
What is the molecular weight of 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile?
The molecular weight of 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile is 270.04 g/mol.
Where can I buy 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile?
You can request a quote for 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chlorophenyl)(cyano)methyl]-6-fluorobenzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.