(S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate
TL;DR: (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate (CAS 99437-70-4) is a chemical compound with molecular formula C6H9F3O3 and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S)-4,4,4-trifluoro-3-hydroxybutanoate
Also Known As: cis-5-Octen-1-ol, ethyl (3S)-4,4,4-trifluoro-3-hydroxybutanoate, (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate, Ethyl (S)-4,4,4-trifluoro-3-hydroxybutanoate, ZERO/000563
| Molecular Formula | C6H9F3O3 |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 0.8628 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.05038 |
| Heavy Atoms | 12 |
| Complexity | 154.60753 |
Chemical Identifiers
| CAS Number | 99437-70-4 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](C(F)(F)F)O |
Product Overview
(S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate (CAS 99437-70-4), with molecular formula C6H9F3O3 and molecular weight 186.05 g/mol. IUPAC: ethyl (3S)-4,4,4-trifluoro-3-hydroxybutanoate.
Chemical Property Profile of (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate
Property Insights of (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate
The XLogP value of 0.8628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate. With a topological polar surface area (TPSA) of 46.53 Ų, (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate 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 (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate?
The CAS number of (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate is 99437-70-4.
What is the molecular formula of (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate?
The molecular formula of (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate is C6H9F3O3.
What is the molecular weight of (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate?
The molecular weight of (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate is 186.05 g/mol.
Where can I buy (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate?
You can request a quote for (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Ethyl 3-Hydroxy-4,4,4-Trifluorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.