2-(3-Fluorophenyl)azepane
TL;DR: 2-(3-Fluorophenyl)azepane (CAS 383130-06-1) is a chemical compound with molecular formula C12H16FN and molecular weight 193.12668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-fluorophenyl)azepane
Also Known As: 2-(3-fluorophenyl)azepane, 2- -AZEPANE, 2-(3-fluorophenyl)-azepane, 2-(3-FLUORO-PHENYL)-AZEPANE, 2-(3-fluorophenyl)azaperhydroepine
Technical Specifications
| Molecular Formula | C12H16FN |
| Molecular Weight | 193.12668 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.12668 Da |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
| SMILES | C1CCC(NCC1)C2=CC(=CC=C2)F |
| InChIKey | FKCWIPFGJXWSCL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Fluorophenyl)azepane
Property Insights of 2-(3-Fluorophenyl)azepane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Fluorophenyl)azepane. With a topological polar surface area (TPSA) of 12.0 Ų, 2-(3-Fluorophenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Fluorophenyl)azepane has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(3-Fluorophenyl)azepane?
The CAS number of 2-(3-Fluorophenyl)azepane is 383130-06-1.
What is the molecular formula of 2-(3-Fluorophenyl)azepane?
The molecular formula of 2-(3-Fluorophenyl)azepane is C12H16FN.
What is the molecular weight of 2-(3-Fluorophenyl)azepane?
The molecular weight of 2-(3-Fluorophenyl)azepane is 193.12668 g/mol.
Where can I buy 2-(3-Fluorophenyl)azepane?
You can request a quote for 2-(3-Fluorophenyl)azepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Fluorophenyl)azepane?
Yes, CoreyChem provides custom synthesis services for 2-(3-Fluorophenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.