4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester
TL;DR: 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester (CAS 106058-89-3) is a chemical compound with molecular formula C10H20O4 and molecular weight 204.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate
Also Known As: (S)-Ethyl 4-t-butoxy-3-hydroxybutanoate, Ethyl 4-tert-butoxy-3-hydroxybutanoate #, 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester, ethyl (+/-)-4-t-butoxy-3-hydroxybutanoate, 4-t-butoxy-3-hydroxy-butyric acid ethyl ester
| Molecular Formula | C10H20O4 |
|---|---|
| Molecular Weight | 204.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 204.13615 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 106058-89-3 |
|---|---|
| SMILES | CCOC(=O)CC(COC(C)(C)C)O |
| InChIKey | PRVDZTWZVHPSJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester (CAS 106058-89-3), with molecular formula C10H20O4 and molecular weight 204.14 g/mol. IUPAC: ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate.
Chemical Property Profile of 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester
Property Insights of 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester 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 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester?
The CAS number of 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester is 106058-89-3.
What is the molecular formula of 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester?
The molecular formula of 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester is C10H20O4.
What is the molecular weight of 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester?
The molecular weight of 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester is 204.14 g/mol.
Where can I buy 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester?
You can request a quote for 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.