3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile
TL;DR: 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile (CAS 445312-08-3) is a chemical compound with molecular formula C15H9ClFNO and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-4-(4-fluorobenzoyl)benzonitrile
Also Known As: 3-(chloromethyl)-4-(4-fluorobenzoyl)benzonitrile, 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile
| Molecular Formula | C15H9ClFNO |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 3.66718 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.03568 |
| Heavy Atoms | 19 |
| Complexity | 658.83606 |
Chemical Identifiers
| CAS Number | 445312-08-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)C#N)CCl)F |
Product Overview
3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile (CAS 445312-08-3), with molecular formula C15H9ClFNO and molecular weight 273.04 g/mol. IUPAC: 3-(chloromethyl)-4-(4-fluorobenzoyl)benzonitrile.
Chemical Property Profile of 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile
Property Insights of 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile
The XLogP value of 3.66718 indicates that 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloromethyl-4-(4-fluoro-benzoyl)-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 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile?
The CAS number of 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile is 445312-08-3.
What is the molecular formula of 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile?
The molecular formula of 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile is C15H9ClFNO.
What is the molecular weight of 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile?
The molecular weight of 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile is 273.04 g/mol.
Where can I buy 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile?
You can request a quote for 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.