Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
TL;DR: Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate (CAS 21133-98-2) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
Also Known As: ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate, Ethyl 3-(p-chlorophenyl)-3-hydroxybutyrate, ethyl3- -3-hydroxybutyrate, ethyl3-(4-chlorophenyl)-3-hydroxybutanoate, 3-Hydroxy-3-(4-chlorophenyl)butyric acid ethyl ester
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 21133-98-2 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C1=CC=C(C=C1)Cl)O |
| InChIKey | AKTWBLNPMXANJD-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate (CAS 21133-98-2), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate.
Chemical Property Profile of Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
Property Insights of Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate 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-(4-chlorophenyl)-3-hydroxybutanoate?
The CAS number of Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate is 21133-98-2.
What is the molecular formula of Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate?
The molecular formula of Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate is C12H15ClO3.
What is the molecular weight of Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate?
The molecular weight of Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate is 242.07 g/mol.
Where can I buy Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate?
You can request a quote for Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.