Methyl 3-hydroxybutyrate
TL;DR: Methyl 3-hydroxybutyrate (CAS 1487-49-6) is a chemical compound with molecular formula C5H10O3 and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxybutanoate
Also Known As: Methyl 3-hydroxybutyrate, Methyl 3-hydroxybutanoate, Methyl-3-hydroxybutyrate, Methyl (S)-(+)-3-hydroxybutyrate, Butanoic acid, 3-hydroxy-, methyl ester
| Molecular Formula | C5H10O3 |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.062996 |
| Heavy Atoms | 8 |
| Complexity | 79.0 |
| Boiling Point | 158.00 to 160.00 °C. @ 760.00 mm Hg |
| Density | 1.053-1.061 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.417-1.425 |
Chemical Identifiers
| CAS Number | 1487-49-6 |
|---|---|
| SMILES | CC(CC(=O)OC)O |
| InChIKey | LDLDJEAVRNAEBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxybutyrate (CAS 1487-49-6), with molecular formula C5H10O3 and molecular weight 118.06 g/mol. IUPAC: methyl 3-hydroxybutanoate.
Chemical Property Profile of Methyl 3-hydroxybutyrate
Property Insights of Methyl 3-hydroxybutyrate
The XLogP value of -0.2 indicates that Methyl 3-hydroxybutyrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxybutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxybutyrate 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
Frequently Asked Questions
What is the CAS number of Methyl 3-hydroxybutyrate?
The CAS number of Methyl 3-hydroxybutyrate is 1487-49-6.
What is the molecular formula of Methyl 3-hydroxybutyrate?
The molecular formula of Methyl 3-hydroxybutyrate is C5H10O3.
What is the molecular weight of Methyl 3-hydroxybutyrate?
The molecular weight of Methyl 3-hydroxybutyrate is 118.06 g/mol.
Where can I buy Methyl 3-hydroxybutyrate?
You can request a quote for Methyl 3-hydroxybutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxybutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxybutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.