1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone
TL;DR: 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone (CAS 478258-69-4) is a chemical compound with molecular formula C8H12ClF2NO and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-chloro-2,2-difluoroethanone
Also Known As: 1H-Azepine,1- hexahydro-, 1-(1-azepanyl)-2-chloro-2,2-difluoro-1-ethanone, 1-(azepan-1-yl)-2-chloro-2,2-difluoroethanone, 1-(azepan-1-yl)-2-chloro-2,2-difluoroethan-1-one, 1-(azepan-1-yl)-2-chloro-2,2-difluoro-ethanone
| Molecular Formula | C8H12ClF2NO |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 2.2206 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.05754 |
| Heavy Atoms | 13 |
| Complexity | 185.07327 |
Chemical Identifiers
| CAS Number | 478258-69-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C(F)(F)Cl |
Product Overview
1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone (CAS 478258-69-4), with molecular formula C8H12ClF2NO and molecular weight 211.06 g/mol. IUPAC: 1-(azepan-1-yl)-2-chloro-2,2-difluoroethanone.
Chemical Property Profile of 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone
Property Insights of 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone
The XLogP value of 2.2206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone 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 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone?
The CAS number of 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone is 478258-69-4.
What is the molecular formula of 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone?
The molecular formula of 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone is C8H12ClF2NO.
What is the molecular weight of 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone?
The molecular weight of 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone is 211.06 g/mol.
Where can I buy 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone?
You can request a quote for 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Azepanyl)-2-chloro-2,2-difluoro-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.