Azepan-1-yl-(3-fluorophenyl)methanone
TL;DR: Azepan-1-yl-(3-fluorophenyl)methanone (CAS 424816-78-4) is a chemical compound with molecular formula C13H16FNO and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(3-fluorophenyl)methanone
Also Known As: 1-(3-fluorobenzoyl)azepane, azepan-1-yl-(3-fluorophenyl)methanone, azepan-1-yl(3-fluorophenyl)methanone, azaperhydroepinyl 3-fluorophenyl ketone, BIM-0017814.P001
| Molecular Formula | C13H16FNO |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 2.8419 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.1216 |
| Heavy Atoms | 16 |
| Complexity | 369.9503 |
Chemical Identifiers
| CAS Number | 424816-78-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC(=CC=C2)F |
Product Overview
Azepan-1-yl-(3-fluorophenyl)methanone (CAS 424816-78-4), with molecular formula C13H16FNO and molecular weight 221.12 g/mol. IUPAC: azepan-1-yl-(3-fluorophenyl)methanone.
Chemical Property Profile of Azepan-1-yl-(3-fluorophenyl)methanone
Property Insights of Azepan-1-yl-(3-fluorophenyl)methanone
The XLogP value of 2.8419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-yl-(3-fluorophenyl)methanone. With a topological polar surface area (TPSA) of 20.31 Ų, Azepan-1-yl-(3-fluorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl-(3-fluorophenyl)methanone has 0 hydrogen bond donor(s) and 1 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 Azepan-1-yl-(3-fluorophenyl)methanone?
The CAS number of Azepan-1-yl-(3-fluorophenyl)methanone is 424816-78-4.
What is the molecular formula of Azepan-1-yl-(3-fluorophenyl)methanone?
The molecular formula of Azepan-1-yl-(3-fluorophenyl)methanone is C13H16FNO.
What is the molecular weight of Azepan-1-yl-(3-fluorophenyl)methanone?
The molecular weight of Azepan-1-yl-(3-fluorophenyl)methanone is 221.12 g/mol.
Where can I buy Azepan-1-yl-(3-fluorophenyl)methanone?
You can request a quote for Azepan-1-yl-(3-fluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl-(3-fluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl-(3-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.