1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone
TL;DR: 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone (CAS 896699-36-8) is a chemical compound with molecular formula C14H17ClFNO2 and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone
Also Known As: 1-(azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone, 1-(1-AZEPANYL)-2-(3-CHLORO-4-FLUOROPHENOXY)-1-ETHANONE
| Molecular Formula | C14H17ClFNO2 |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 3.2605 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.09317 |
| Heavy Atoms | 19 |
| Complexity | 445.07214 |
Chemical Identifiers
| CAS Number | 896699-36-8 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)COC2=CC(=C(C=C2)F)Cl |
Product Overview
1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone (CAS 896699-36-8), with molecular formula C14H17ClFNO2 and molecular weight 285.09 g/mol. IUPAC: 1-(azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone
Property Insights of 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone
The XLogP value of 3.2605 indicates that 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone has 0 hydrogen bond donor(s) and 2 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-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone?
The CAS number of 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone is 896699-36-8.
What is the molecular formula of 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone is C14H17ClFNO2.
What is the molecular weight of 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone is 285.09 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-(3-chloro-4-fluorophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.