Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl-
TL;DR: Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- (CAS 101221-68-5) is a chemical compound with molecular formula C14H14F6O2 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-1-one
Also Known As: BUTYROPHENONE, 3-HYDROXY-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-2',4',6'-TRIMETHYL-, 3-Hydroxy-1-mesityl-4,4,4-trifluoro-3-trifluoromethyl-1-butanone, 3-Hydroxy-4,4,4-trifluoro-3-trifluoromethyl-2',4',6'-trimethylbutyrophenone, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-1-one, 1-Butanone, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)-?
| Molecular Formula | C14H14F6O2 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0898 |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 101221-68-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C |
| InChIKey | ULTVHVUCXFRTKF-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- (CAS 101221-68-5), with molecular formula C14H14F6O2 and molecular weight 328.09 g/mol. IUPAC: 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-1-one.
Chemical Property Profile of Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl-
Property Insights of Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl-
The XLogP value of 4.1 indicates that Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- has 1 hydrogen bond donor(s) and 8 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 Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl-?
The CAS number of Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- is 101221-68-5.
What is the molecular formula of Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl-?
The molecular formula of Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- is C14H14F6O2.
What is the molecular weight of Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl-?
The molecular weight of Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- is 328.09 g/mol.
Where can I buy Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl-?
You can request a quote for Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-2',4',6'-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.