Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate
TL;DR: Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate (CAS 2892-16-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-2-methyl-3-phenylpropanoate
Also Known As: ethyl 3-hydroxy-2-methyl-3-phenylpropanoate, ethyl 3-hydroxy-2-methyl-3-phenylpropionate, ethyl 3-phenyl-3-hydroxy-2-methylpropionate, ethyl 3-hydroxy-2-methyl-3-phenyl-propanoate, 2-(alpha-Hydroxybenzyl)propionic acid ethyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 2892-16-2 |
|---|---|
| SMILES | CCOC(=O)C(C)C(C1=CC=CC=C1)O |
| InChIKey | DBYGIIOOKKCUKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate (CAS 2892-16-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: ethyl 3-hydroxy-2-methyl-3-phenylpropanoate.
Chemical Property Profile of Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate
Property Insights of Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate 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-2-methyl-3-phenylpropanoate?
The CAS number of Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate is 2892-16-2.
What is the molecular formula of Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate?
The molecular formula of Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate is C12H16O3.
What is the molecular weight of Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate?
The molecular weight of Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate is 208.11 g/mol.
Where can I buy Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate?
You can request a quote for Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate 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-2-methyl-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-2-methyl-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.