2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-
TL;DR: 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- (CAS 76691-12-8) is a chemical compound with molecular formula C14H16FNO2 and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
Also Known As: 1-(4-Fluorophenyl)-3-(4-morpholinyl)-2-buten-1-one, 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-, (Z)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one, RefChem:1062550, BRN 4427214
| Molecular Formula | C14H16FNO2 |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 2.2444 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.1165 |
| Heavy Atoms | 18 |
| Complexity | 447.36673 |
Chemical Identifiers
| CAS Number | 76691-12-8 |
|---|---|
| SMILES | C/C(=C/C(=O)C1=CC=C(C=C1)F)/N2CCOCC2 |
Product Overview
2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- (CAS 76691-12-8), with molecular formula C14H16FNO2 and molecular weight 249.12 g/mol. IUPAC: (Z)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-
Property Insights of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-
The XLogP value of 2.2444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- has 0 hydrogen bond donor(s) and 3 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 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-?
The CAS number of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- is 76691-12-8.
What is the molecular formula of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-?
The molecular formula of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- is C14H16FNO2.
What is the molecular weight of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-?
The molecular weight of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- is 249.12 g/mol.
Where can I buy 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-?
You can request a quote for 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-morpholinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.