(2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester
TL;DR: (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester (CAS 146452-39-3) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S,3R)-2-chloro-3-hydroxy-3-phenylpropanoate
Also Known As: ethyl 2-chloro-3-hydroxy-3-phenylpropanoate, J1.354.440I, ethyl (2S,3R)-2-chloro-3-hydroxy-3-phenylpropanoate, (2s,3r)-2-chloro-3-hydroxy-3-phenylpropionic acid ethyl ester, Ethyl (2S,3S)-2-chloro-3-hydroxy-3-phenyl-propanoate
Technical Specifications
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.05533 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05533 Da |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
| SMILES | CCOC(=O)[C@H]([C@@H](C1=CC=CC=C1)O)Cl |
| InChIKey | OHWTWQBFVOCYOY-VHSXEESVSA-N |
Chemical Property Profile of (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester
Property Insights of (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester 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
What is the CAS number of (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester?
The CAS number of (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester is 146452-39-3.
What is the molecular formula of (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester?
The molecular formula of (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester is C11H13ClO3.
What is the molecular weight of (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester?
The molecular weight of (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester is 228.05533 g/mol.
Where can I buy (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester?
You can request a quote for (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for (2s,3r)-2-Chloro-3-hydroxy-3-phenylpropionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.