2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-
TL;DR: 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 34844-51-4) is a chemical compound with molecular formula C11H10F6O2 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
Also Known As: 1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol, 4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diol, 1,3-Butanedione,1-cyclohexyl-4,4,4-trifluoro, 2,4-BUTANEDIOL, 4-PHENYL-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-, C(O)(CC(O)c1ccccc1)(C(F)(F)F)C(F)(F)F
| Molecular Formula | C11H10F6O2 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0585 |
| Heavy Atoms | 19 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 34844-51-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | IOXCYVTZRDCFPD-UHFFFAOYSA-N |
Product Overview
2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 34844-51-4), with molecular formula C11H10F6O2 and molecular weight 288.06 g/mol. IUPAC: 4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diol.
Chemical Property Profile of 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-
Property Insights of 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 40.5 Ų, 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- has 2 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 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
The CAS number of 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- is 34844-51-4.
What is the molecular formula of 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular formula of 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- is C11H10F6O2.
What is the molecular weight of 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular weight of 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- is 288.06 g/mol.
Where can I buy 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
You can request a quote for 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.