Methyl 4-(tert-butoxy)-3-hydroxybutanoate
TL;DR: Methyl 4-(tert-butoxy)-3-hydroxybutanoate (CAS 1823341-97-4) is a chemical compound with molecular formula C9H18O4 and molecular weight 190.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate
Also Known As: methyl 4-(tert-butoxy)-3-hydroxybutanoate, Methyl 4-tert-butoxy-3-hydroxybutanoate, methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate
| Molecular Formula | C9H18O4 |
|---|---|
| Molecular Weight | 190.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.12051 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 1823341-97-4 |
|---|---|
| SMILES | CC(C)(C)OCC(CC(=O)OC)O |
| InChIKey | FLIQUSNSTMUVNH-UHFFFAOYSA-N |
Product Overview
Methyl 4-(tert-butoxy)-3-hydroxybutanoate (CAS 1823341-97-4), with molecular formula C9H18O4 and molecular weight 190.12 g/mol. IUPAC: methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate.
Chemical Property Profile of Methyl 4-(tert-butoxy)-3-hydroxybutanoate
Property Insights of Methyl 4-(tert-butoxy)-3-hydroxybutanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(tert-butoxy)-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 4-(tert-butoxy)-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(tert-butoxy)-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 Methyl 4-(tert-butoxy)-3-hydroxybutanoate?
The CAS number of Methyl 4-(tert-butoxy)-3-hydroxybutanoate is 1823341-97-4.
What is the molecular formula of Methyl 4-(tert-butoxy)-3-hydroxybutanoate?
The molecular formula of Methyl 4-(tert-butoxy)-3-hydroxybutanoate is C9H18O4.
What is the molecular weight of Methyl 4-(tert-butoxy)-3-hydroxybutanoate?
The molecular weight of Methyl 4-(tert-butoxy)-3-hydroxybutanoate is 190.12 g/mol.
Where can I buy Methyl 4-(tert-butoxy)-3-hydroxybutanoate?
You can request a quote for Methyl 4-(tert-butoxy)-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(tert-butoxy)-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(tert-butoxy)-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.