3-Buten-2-one,4-(4-CF3-phenyl)-
TL;DR: 3-Buten-2-one,4-(4-CF3-phenyl)- (CAS 115665-92-4) is a chemical compound with molecular formula C11H9F3O and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-(trifluoromethyl)phenyl]but-3-en-2-one
Also Known As: 1-[4-(Trifluoromethyl)phenyl]but-1-en-3-one, (3E)-4-[4-(trifluoromethyl)phenyl]but-3-en-2-one, (E)-4-(4-(trifluoromethyl)phenyl)but-3-en-2-one, Thiazole, 2-methyl-4-phenyl-, 4-(4-(Trifluoromethyl)phenyl)but-3-en-2-one
| Molecular Formula | C11H9F3O |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 3.3076 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.06055 |
| Heavy Atoms | 15 |
| Complexity | 373.81467 |
Chemical Identifiers
| CAS Number | 115665-92-4 |
|---|---|
| SMILES | CC(=O)/C=C/C1=CC=C(C=C1)C(F)(F)F |
Product Overview
3-Buten-2-one,4-(4-CF3-phenyl)- (CAS 115665-92-4), with molecular formula C11H9F3O and molecular weight 214.06 g/mol. IUPAC: (E)-4-[4-(trifluoromethyl)phenyl]but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one,4-(4-CF3-phenyl)-
Property Insights of 3-Buten-2-one,4-(4-CF3-phenyl)-
The XLogP value of 3.3076 indicates that 3-Buten-2-one,4-(4-CF3-phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Buten-2-one,4-(4-CF3-phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one,4-(4-CF3-phenyl)- 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-Buten-2-one,4-(4-CF3-phenyl)-?
The CAS number of 3-Buten-2-one,4-(4-CF3-phenyl)- is 115665-92-4.
What is the molecular formula of 3-Buten-2-one,4-(4-CF3-phenyl)-?
The molecular formula of 3-Buten-2-one,4-(4-CF3-phenyl)- is C11H9F3O.
What is the molecular weight of 3-Buten-2-one,4-(4-CF3-phenyl)-?
The molecular weight of 3-Buten-2-one,4-(4-CF3-phenyl)- is 214.06 g/mol.
Where can I buy 3-Buten-2-one,4-(4-CF3-phenyl)-?
You can request a quote for 3-Buten-2-one,4-(4-CF3-phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one,4-(4-CF3-phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one,4-(4-CF3-phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.