(E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one
TL;DR: (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one (CAS 692738-22-0) is a chemical compound with molecular formula C11H14F5NO and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one
Also Known As: (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one, 1-(azepan-1-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one, 1-(azepan-1-yl)-4,4,5,5,5-pentafluoro-pent-1-en-3-one
| Molecular Formula | C11H14F5NO |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 3.1428 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.09955 |
| Heavy Atoms | 18 |
| Complexity | 315.8855 |
Chemical Identifiers
| CAS Number | 692738-22-0 |
|---|---|
| SMILES | C1CCCN(CC1)C=CC(=O)C(C(F)(F)F)(F)F |
Product Overview
(E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one (CAS 692738-22-0), with molecular formula C11H14F5NO and molecular weight 271.10 g/mol. IUPAC: 1-(azepan-1-yl)-4,4,5,5,5-pentafluoropent-1-en-3-one.
Chemical Property Profile of (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one
Property Insights of (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one
The XLogP value of 3.1428 indicates that (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one 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 (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one?
The CAS number of (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one is 692738-22-0.
What is the molecular formula of (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one?
The molecular formula of (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one is C11H14F5NO.
What is the molecular weight of (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one?
The molecular weight of (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one is 271.10 g/mol.
Where can I buy (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one?
You can request a quote for (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(1-azepanyl)-4,4,5,5,5-pentafluoro-1-penten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.