3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide
TL;DR: 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide (CAS 428839-55-8) is a chemical compound with molecular formula C15H20F2N2O and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide
Also Known As: 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide, AT-057/43314250, 3-(1-azepanyl)-N-(3,4-difluorophenyl)propanamide, 3-azaperhydroepinyl-N-(3,4-difluorophenyl)propanamide, 3-(1-AZEPANYL)-N~1~-(3,4-DIFLUOROPHENYL)PROPANAMIDE
| Molecular Formula | C15H20F2N2O |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.15436 |
| Heavy Atoms | 20 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 428839-55-8 |
|---|---|
| SMILES | C1CCCN(CC1)CCC(=O)NC2=CC(=C(C=C2)F)F |
| InChIKey | XCUBYUZDGKBPOH-UHFFFAOYSA-N |
Product Overview
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide (CAS 428839-55-8), with molecular formula C15H20F2N2O and molecular weight 282.15 g/mol. IUPAC: 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide.
Chemical Property Profile of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide
Property Insights of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide has 1 hydrogen bond donor(s) and 4 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-(3,4-difluorophenyl)propanamide?
The CAS number of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide is 428839-55-8.
What is the molecular formula of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide?
The molecular formula of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide is C15H20F2N2O.
What is the molecular weight of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide?
The molecular weight of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide is 282.15 g/mol.
Where can I buy 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide?
You can request a quote for 3-(azepan-1-yl)-N-(3,4-difluorophenyl)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-(3,4-difluorophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.