ethyl(S)-4-benzyloxy-3-hydroxybutyrate
TL;DR: ethyl(S)-4-benzyloxy-3-hydroxybutyrate (CAS 112348-04-6) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S)-3-hydroxy-4-phenylmethoxybutanoate
Also Known As: ethyl(S)-4-benzyloxy-3-hydroxybutyrate, ETHYL (S)-4-BENZYLOXY-3-HYDROXYBUTYRATE, ethyl (3S)-4-(benzyloxy)-3-hydroxybutanoate, ethyl (3S)-3-hydroxy-4-phenylmethoxybutanoate, (3S)-3-Hydroxy-4-(benzyloxy)butyric acid ethyl ester
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 1.5173 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 323.45117 |
Chemical Identifiers
| CAS Number | 112348-04-6 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](COCC1=CC=CC=C1)O |
Product Overview
ethyl(S)-4-benzyloxy-3-hydroxybutyrate (CAS 112348-04-6), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: ethyl (3S)-3-hydroxy-4-phenylmethoxybutanoate.
Chemical Property Profile of ethyl(S)-4-benzyloxy-3-hydroxybutyrate
Property Insights of ethyl(S)-4-benzyloxy-3-hydroxybutyrate
The XLogP value of 1.5173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl(S)-4-benzyloxy-3-hydroxybutyrate. With a topological polar surface area (TPSA) of 55.76 Ų, ethyl(S)-4-benzyloxy-3-hydroxybutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl(S)-4-benzyloxy-3-hydroxybutyrate has 1 hydrogen bond donor(s) and 4 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(S)-4-benzyloxy-3-hydroxybutyrate?
The CAS number of ethyl(S)-4-benzyloxy-3-hydroxybutyrate is 112348-04-6.
What is the molecular formula of ethyl(S)-4-benzyloxy-3-hydroxybutyrate?
The molecular formula of ethyl(S)-4-benzyloxy-3-hydroxybutyrate is C13H18O4.
What is the molecular weight of ethyl(S)-4-benzyloxy-3-hydroxybutyrate?
The molecular weight of ethyl(S)-4-benzyloxy-3-hydroxybutyrate is 238.12 g/mol.
Where can I buy ethyl(S)-4-benzyloxy-3-hydroxybutyrate?
You can request a quote for ethyl(S)-4-benzyloxy-3-hydroxybutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl(S)-4-benzyloxy-3-hydroxybutyrate?
Yes, KEHONG BIO provides custom synthesis services for ethyl(S)-4-benzyloxy-3-hydroxybutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.