3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride
TL;DR: 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride (CAS 284495-97-2) is a chemical compound with molecular formula C18H27ClFNO and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-tripropylazanium chloride
Also Known As: 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride, [3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]tripropylazanium chloride, (2E)-1-(4-fluorophenyl)-3-(tripropylamino)prop-2-en-1-one, chloride, [(E)-3-(4-fluorophenyl)-3-oxo-prop-1-enyl]-tripropyl-azanium Chloride, [(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-tripropylazanium chloride
| Molecular Formula | C18H27ClFNO |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 1.5729 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.1765 |
| Heavy Atoms | 22 |
| Complexity | 453.46088 |
Chemical Identifiers
| CAS Number | 284495-97-2 |
|---|---|
| SMILES | CCC[N+](CCC)(CCC)/C=C/C(=O)C1=CC=C(C=C1)F.[Cl-] |
Product Overview
3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride (CAS 284495-97-2), with molecular formula C18H27ClFNO and molecular weight 327.18 g/mol. IUPAC: [(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-tripropylazanium chloride.
Chemical Property Profile of 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride
Property Insights of 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride
The XLogP value of 1.5729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride 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 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride?
The CAS number of 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride is 284495-97-2.
What is the molecular formula of 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride?
The molecular formula of 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride is C18H27ClFNO.
What is the molecular weight of 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride?
The molecular weight of 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride is 327.18 g/mol.
Where can I buy 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride?
You can request a quote for 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-3-oxo-N,N,N-tripropylprop-1-en-1-aminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.