Ethyl 3-hydroxy-4,4,4-trichlorobutyrate
TL;DR: Ethyl 3-hydroxy-4,4,4-trichlorobutyrate (CAS 19486-93-2) is a chemical compound with molecular formula C6H9Cl3O3 and molecular weight 233.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trichloro-3-hydroxybutanoate
Also Known As: Ethyl 4,4,4-trichloro-3-hydroxybutanoate, ETHYL 3-HYDROXY-4,4,4-TRICHLOROBUTYRATE, Ethyl 4,4,4-trichloro-3-hydroxybutyrate, ethyl 4,4,4-trichloro-3-hydroxy-butanoate, Ethyl 4,4,4-trichloro-3-hydroxybutanoate #
| Molecular Formula | C6H9Cl3O3 |
|---|---|
| Molecular Weight | 233.96 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.96173 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 19486-93-2 |
|---|---|
| SMILES | CCOC(=O)CC(C(Cl)(Cl)Cl)O |
| InChIKey | RZSBEAZIKBJBBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxy-4,4,4-trichlorobutyrate (CAS 19486-93-2), with molecular formula C6H9Cl3O3 and molecular weight 233.96 g/mol. IUPAC: ethyl 4,4,4-trichloro-3-hydroxybutanoate.
Chemical Property Profile of Ethyl 3-hydroxy-4,4,4-trichlorobutyrate
Property Insights of Ethyl 3-hydroxy-4,4,4-trichlorobutyrate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-4,4,4-trichlorobutyrate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-4,4,4-trichlorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-4,4,4-trichlorobutyrate 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 Ethyl 3-hydroxy-4,4,4-trichlorobutyrate?
The CAS number of Ethyl 3-hydroxy-4,4,4-trichlorobutyrate is 19486-93-2.
What is the molecular formula of Ethyl 3-hydroxy-4,4,4-trichlorobutyrate?
The molecular formula of Ethyl 3-hydroxy-4,4,4-trichlorobutyrate is C6H9Cl3O3.
What is the molecular weight of Ethyl 3-hydroxy-4,4,4-trichlorobutyrate?
The molecular weight of Ethyl 3-hydroxy-4,4,4-trichlorobutyrate is 233.96 g/mol.
Where can I buy Ethyl 3-hydroxy-4,4,4-trichlorobutyrate?
You can request a quote for Ethyl 3-hydroxy-4,4,4-trichlorobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-4,4,4-trichlorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-4,4,4-trichlorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.