1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile
TL;DR: 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile (CAS 214262-93-8) is a chemical compound with molecular formula C13H13ClFN and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4-fluorophenyl)cyclohexane-1-carbonitrile
Also Known As: 1- CYCLOHEXANECARBONITRILE, 1-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBONITRILE, 2-Chloro-6-methoxyquinoline-3-methanol, 1-(2-chloro-4-fluorophenyl)cyclohexane-1-carbonitrile, 1-(2-Chloro-4-fluoropenyl)-cyclohexanecarbonictrile
| Molecular Formula | C13H13ClFN |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07205 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 214262-93-8 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)C2=C(C=C(C=C2)F)Cl |
| InChIKey | KZGDMXVKXALOSX-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile (CAS 214262-93-8), with molecular formula C13H13ClFN and molecular weight 237.07 g/mol. IUPAC: 1-(2-chloro-4-fluorophenyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile
Property Insights of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile
The XLogP value of 4.3 indicates that 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile 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 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile?
The CAS number of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile is 214262-93-8.
What is the molecular formula of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile?
The molecular formula of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile is C13H13ClFN.
What is the molecular weight of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile?
The molecular weight of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile is 237.07 g/mol.
Where can I buy 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile?
You can request a quote for 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.