ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
TL;DR: ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate (CAS 189098-10-0) 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 (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
Also Known As: J1.113.795D, ethyl (2R,3R)-3-phenyl-3-hydroxy-2-methylpropionate, ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate, beta-hydroxy alpha-methylhydrocinnamic acid, ethyl ester, (alphaR,betaR)-alpha-Methyl-beta-hydroxybenzenepropanoic acid ethyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.9192 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 307.90308 |
Chemical Identifiers
| CAS Number | 189098-10-0 |
|---|---|
| SMILES | CCOC(=O)[C@H](C)[C@H](C1=CC=CC=C1)O |
Product Overview
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate (CAS 189098-10-0), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate.
Chemical Property Profile of ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
Property Insights of ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
The XLogP value of 1.9192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate. With a topological polar surface area (TPSA) of 46.53 Ų, ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2R,3R)-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 (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate?
The CAS number of ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate is 189098-10-0.
What is the molecular formula of ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate?
The molecular formula of ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate is C12H16O3.
What is the molecular weight of ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate?
The molecular weight of ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate is 208.11 g/mol.
Where can I buy ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate?
You can request a quote for ethyl (2R,3R)-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 (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.