3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide
TL;DR: 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide (CAS 333758-84-2) is a chemical compound with molecular formula C15H21FN2O and molecular weight 264.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide
Also Known As: 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide, BAS 03086914, 3-(1-azepanyl)-N-(2-fluorophenyl)propanamide, 3-Azepan-1-yl-N-(2-fluoro-phenyl)-propionamide, 3-azaperhydroepinyl-N-(2-fluorophenyl)propanamide
| Molecular Formula | C15H21FN2O |
|---|---|
| Molecular Weight | 264.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.1638 |
| Heavy Atoms | 19 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 333758-84-2 |
|---|---|
| SMILES | C1CCCN(CC1)CCC(=O)NC2=CC=CC=C2F |
| InChIKey | VQRXWVSTJJAXRS-UHFFFAOYSA-N |
Product Overview
3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide (CAS 333758-84-2), with molecular formula C15H21FN2O and molecular weight 264.16 g/mol. IUPAC: 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide.
Chemical Property Profile of 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide
Property Insights of 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide has 1 hydrogen bond donor(s) and 3 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-(azepan-1-yl)-N-(2-fluorophenyl)propanamide?
The CAS number of 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide is 333758-84-2.
What is the molecular formula of 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide?
The molecular formula of 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide is C15H21FN2O.
What is the molecular weight of 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide?
The molecular weight of 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide is 264.16 g/mol.
Where can I buy 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide?
You can request a quote for 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-yl)-N-(2-fluorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.