2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-
TL;DR: 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- (CAS 149172-65-6) is a chemical compound with molecular formula C12H9F3O3 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-yl) acetate
Also Known As: Btae-1,2,2, 1-Benzoyl-2-trifluoromethyl-2-acetoxyethene, 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-, (1,1,1-Trifluoro-4-oxo-4-phenylbut-2-en-2-yl) acetate
| Molecular Formula | C12H9F3O3 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.05038 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 149172-65-6 |
|---|---|
| SMILES | CC(=O)OC(=CC(=O)C1=CC=CC=C1)C(F)(F)F |
| InChIKey | UWQNJJGNFAFFGH-UHFFFAOYSA-N |
Product Overview
2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- (CAS 149172-65-6), with molecular formula C12H9F3O3 and molecular weight 258.05 g/mol. IUPAC: (1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-yl) acetate.
Chemical Property Profile of 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-
Property Insights of 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- has 0 hydrogen bond donor(s) and 6 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,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-?
The CAS number of 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- is 149172-65-6.
What is the molecular formula of 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-?
The molecular formula of 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- is C12H9F3O3.
What is the molecular weight of 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-?
The molecular weight of 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- is 258.05 g/mol.
Where can I buy 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-?
You can request a quote for 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- 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,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one,3-(acetyloxy)-4,4,4-trifluoro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.