Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-
TL;DR: Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- (CAS 444579-14-0) is a chemical compound with molecular formula C7H11F3O3 and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (3S)-4,4,4-trifluoro-3-hydroxybutanoate
Also Known As: isopropyl 4,4,4-trifluoro-3-hydroxybutanoate, propan-2-yl (3S)-4,4,4-trifluoro-3-hydroxybutanoate, Propan-2-yl 4,4,4-trifluoro-3-hydroxy-butanoate, Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-, Butanoic acid,4,4,4-trifluoro-3-hydroxy-,1-methylethyl ester,(3S)
| Molecular Formula | C7H11F3O3 |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 1.2513 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.06602 |
| Heavy Atoms | 13 |
| Complexity | 176.3118 |
Chemical Identifiers
| CAS Number | 444579-14-0 |
|---|---|
| SMILES | CC(C)OC(=O)C[C@@H](C(F)(F)F)O |
Product Overview
Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- (CAS 444579-14-0), with molecular formula C7H11F3O3 and molecular weight 200.07 g/mol. IUPAC: propan-2-yl (3S)-4,4,4-trifluoro-3-hydroxybutanoate.
Chemical Property Profile of Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-
Property Insights of Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-
The XLogP value of 1.2513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-. With a topological polar surface area (TPSA) of 46.53 Ų, Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- 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 Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-?
The CAS number of Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- is 444579-14-0.
What is the molecular formula of Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-?
The molecular formula of Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- is C7H11F3O3.
What is the molecular weight of Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-?
The molecular weight of Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- is 200.07 g/mol.
Where can I buy Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-?
You can request a quote for Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, 1-methylethyl ester, (3S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.