3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester
TL;DR: 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester (CAS 51983-61-0) is a chemical compound with molecular formula C11H11F3O3 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate
Also Known As: 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester, Methyl 4,4,4-trifluoro-3-hydroxy-3-phenyl-butanoate
| Molecular Formula | C11H11F3O3 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 1.9996 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06602 |
| Heavy Atoms | 17 |
| Complexity | 388.69818 |
Chemical Identifiers
| CAS Number | 51983-61-0 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=CC=C1)(C(F)(F)F)O |
Product Overview
3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester (CAS 51983-61-0), with molecular formula C11H11F3O3 and molecular weight 248.07 g/mol. IUPAC: methyl 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoate.
Chemical Property Profile of 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester
Property Insights of 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester
The XLogP value of 1.9996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester 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 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester?
The CAS number of 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester is 51983-61-0.
What is the molecular formula of 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester?
The molecular formula of 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester is C11H11F3O3.
What is the molecular weight of 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester?
The molecular weight of 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester is 248.07 g/mol.
Where can I buy 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester?
You can request a quote for 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-3-hydroxy-4.4.4-trifluoro-butylsaeuremethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.