Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate
TL;DR: Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate (CAS 106058-91-7) 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 3-hydroxy-4-phenylmethoxybutanoate
Also Known As: ethyl 3-hydroxy-4-phenylmethoxybutanoate, methyl 4-tert-butoxyacetoacetate, ethyl (+/-)-4-benzyloxy-3-hydroxybutanoate, Ethyl (R)-4-benzyloxy-3-hydroxybutyrate., Ethyl 4-(benzyloxy)-3-hydroxybutanoate
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 106058-91-7 |
|---|---|
| SMILES | CCOC(=O)CC(COCC1=CC=CC=C1)O |
| InChIKey | HMHGAAZSPNXMCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate (CAS 106058-91-7), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: ethyl 3-hydroxy-4-phenylmethoxybutanoate.
Chemical Property Profile of Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate
Property Insights of Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate 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 (+-)-4-benzyloxy-3-hydroxybutanoate?
The CAS number of Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate is 106058-91-7.
What is the molecular formula of Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate?
The molecular formula of Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate is C13H18O4.
What is the molecular weight of Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate?
The molecular weight of Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate is 238.12 g/mol.
Where can I buy Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate?
You can request a quote for Ethyl (+-)-4-benzyloxy-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 (+-)-4-benzyloxy-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (+-)-4-benzyloxy-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.