Methyl 2-hydroxybutanoate
TL;DR: Methyl 2-hydroxybutanoate (CAS 623-72-3) 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 2-hydroxybutanoate
Also Known As: Methyl 2-hydroxybutanoate, methyl 2-hydroxybutyrate, MHBA, Methyl2-hydroxybutanoate, Butanoic acid, 2-hydroxy-, methyl ester
| Molecular Formula | C5H10O3 |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | 0.4 |
| 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 |
Chemical Identifiers
| CAS Number | 623-72-3 |
|---|---|
| SMILES | CCC(C(=O)OC)O |
| InChIKey | DDMCDMDOHABRHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hydroxybutanoate (CAS 623-72-3), with molecular formula C5H10O3 and molecular weight 118.06 g/mol. IUPAC: methyl 2-hydroxybutanoate.
Chemical Property Profile of Methyl 2-hydroxybutanoate
Property Insights of Methyl 2-hydroxybutanoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxybutanoate 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 2-hydroxybutanoate?
The CAS number of Methyl 2-hydroxybutanoate is 623-72-3.
What is the molecular formula of Methyl 2-hydroxybutanoate?
The molecular formula of Methyl 2-hydroxybutanoate is C5H10O3.
What is the molecular weight of Methyl 2-hydroxybutanoate?
The molecular weight of Methyl 2-hydroxybutanoate is 118.06 g/mol.
Where can I buy Methyl 2-hydroxybutanoate?
You can request a quote for Methyl 2-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.