Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate
TL;DR: Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate (CAS 153816-91-2) is a chemical compound with molecular formula C14H17F3O3 and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate
Also Known As: BIM-0048020.P001, tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate, AF-407/36112003, 1,1-Dimethylethyl beta-hydroxy-beta-(trifluoromethyl)benzenepropanoate, 1,1-Dimethylethyl
| Molecular Formula | C14H17F3O3 |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 3.1683 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.11298 |
| Heavy Atoms | 20 |
| Complexity | 462.79272 |
Chemical Identifiers
| CAS Number | 153816-91-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C1=CC=CC=C1)(C(F)(F)F)O |
Product Overview
Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate (CAS 153816-91-2), with molecular formula C14H17F3O3 and molecular weight 290.11 g/mol. IUPAC: tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate.
Chemical Property Profile of Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate
Property Insights of Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate
The XLogP value of 3.1683 indicates that Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate has 1 hydrogen bond donor(s) and 3 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 Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate?
The CAS number of Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate is 153816-91-2.
What is the molecular formula of Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate?
The molecular formula of Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate is C14H17F3O3.
What is the molecular weight of Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate?
The molecular weight of Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate is 290.11 g/mol.
Where can I buy Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate?
You can request a quote for Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.