Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-
TL;DR: Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 35443-99-3) is a chemical compound with molecular formula C11H5ClF6O and molecular weight 301.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Also Known As: 4'-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone, CROTONOPHENONE, 4'-CHLORO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-, 1-(p-Chlorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one, 1-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one, 4'-Chloro-4,4,4-trifluoro-3-(trifluoromethyl)crotonophenone
| Molecular Formula | C11H5ClF6O |
|---|---|
| Molecular Weight | 301.99 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.99332 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 35443-99-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=C(C(F)(F)F)C(F)(F)F)Cl |
| InChIKey | AGWQEAPKCXRCEE-UHFFFAOYSA-N |
Product Overview
Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 35443-99-3), with molecular formula C11H5ClF6O and molecular weight 301.99 g/mol. IUPAC: 1-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one.
Chemical Property Profile of Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-
Property Insights of Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-
The XLogP value of 4.7 indicates that Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 7 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 Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The CAS number of Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- is 35443-99-3.
What is the molecular formula of Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular formula of Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- is C11H5ClF6O.
What is the molecular weight of Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular weight of Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- is 301.99 g/mol.
Where can I buy Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-?
You can request a quote for Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.