Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-
TL;DR: Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl- (CAS 35444-03-2) is a chemical compound with molecular formula C12H7F7O2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)but-2-en-1-one
Also Known As: CROTONOPHENONE, 3'-FLUORO-4'-METHOXY-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, 1-(3-Fluoro-4-methoxyphenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one, 4,4,4-trifluoro-1-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)but-2-en-1-one, 2-Buten-1-one, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-, 3'-Fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-crotonophenone
| Molecular Formula | C12H7F7O2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.03342 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 35444-03-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C=C(C(F)(F)F)C(F)(F)F)F |
| InChIKey | HWQNDBCKRDATIX-UHFFFAOYSA-N |
Product Overview
Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl- (CAS 35444-03-2), with molecular formula C12H7F7O2 and molecular weight 316.03 g/mol. IUPAC: 4,4,4-trifluoro-1-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)but-2-en-1-one.
Chemical Property Profile of Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-
Property Insights of Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-
The XLogP value of 4.2 indicates that Crotonophenone, 3'-fluoro-4'-methoxy-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 26.3 Ų, Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl- has 0 hydrogen bond donor(s) and 9 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, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-?
The CAS number of Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl- is 35444-03-2.
What is the molecular formula of Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular formula of Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl- is C12H7F7O2.
What is the molecular weight of Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular weight of Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl- is 316.03 g/mol.
Where can I buy Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-?
You can request a quote for Crotonophenone, 3'-fluoro-4'-methoxy-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, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for Crotonophenone, 3'-fluoro-4'-methoxy-4,4,4-trifluoro-3-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.