3-Chloro-1-(4-fluorobenzoyl)azepan-2-one
TL;DR: 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one (CAS 356569-51-2) is a chemical compound with molecular formula C13H13ClFNO2 and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(4-fluorobenzoyl)azepan-2-one
Also Known As: 3-chloro-1-(4-fluorobenzoyl)azepan-2-one, 3-chloro-1-(p-fluorobenzoyl)-2-azepanone, 3-Chloro-1-(4-fluorobenzoyl)-2-azepanone, 3-Chloro-1-(4-fluorobenzoyl)hexahydro-2H-azepin-2-one, 3-chloro-1-[(4-fluorophenyl)carbonyl]azepan-2-one
| Molecular Formula | C13H13ClFNO2 |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 2.5858 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.0619 |
| Heavy Atoms | 18 |
| Complexity | 460.56396 |
Chemical Identifiers
| CAS Number | 356569-51-2 |
|---|---|
| SMILES | C1CCN(C(=O)C(C1)Cl)C(=O)C2=CC=C(C=C2)F |
Product Overview
3-Chloro-1-(4-fluorobenzoyl)azepan-2-one (CAS 356569-51-2), with molecular formula C13H13ClFNO2 and molecular weight 269.06 g/mol. IUPAC: 3-chloro-1-(4-fluorobenzoyl)azepan-2-one.
Chemical Property Profile of 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one
Property Insights of 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one
The XLogP value of 2.5858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one. With a topological polar surface area (TPSA) of 37.38 Ų, 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one 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-Chloro-1-(4-fluorobenzoyl)azepan-2-one?
The CAS number of 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one is 356569-51-2.
What is the molecular formula of 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one?
The molecular formula of 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one is C13H13ClFNO2.
What is the molecular weight of 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one?
The molecular weight of 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one is 269.06 g/mol.
Where can I buy 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one?
You can request a quote for 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-(4-fluorobenzoyl)azepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.