2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-
TL;DR: 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 34848-38-9) is a chemical compound with molecular formula C12H12F6O3 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-5-phenoxy-2-(trifluoromethyl)pentane-2,4-diol
Also Known As: 1,1,1-trifluoro-5-phenoxy-2-(trifluoromethyl)pentane-2,4-diol, 5-Phenoxy-1,1,1-trifluoro-2-trifluoromethyl-2,4-pentanediol, 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-, C(O)(CC(O)COc1ccccc1)(C(F)(F)F)C(F)(F)F, 5-Phenoxy-1,1,1-trifluor-2-trifluormethyl-2,4-pentandiol
| Molecular Formula | C12H12F6O3 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.06906 |
| Heavy Atoms | 21 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 34848-38-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(CC(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | LLBYRSMBEDHPIS-UHFFFAOYSA-N |
Product Overview
2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 34848-38-9), with molecular formula C12H12F6O3 and molecular weight 318.07 g/mol. IUPAC: 1,1,1-trifluoro-5-phenoxy-2-(trifluoromethyl)pentane-2,4-diol.
Chemical Property Profile of 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-
Property Insights of 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-
The XLogP value of 3.1 indicates that 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- has 2 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 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-?
The CAS number of 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- is 34848-38-9.
What is the molecular formula of 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular formula of 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- is C12H12F6O3.
What is the molecular weight of 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular weight of 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- is 318.07 g/mol.
Where can I buy 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-?
You can request a quote for 2,4-Pentanediol, 5-phenoxy-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-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.