Methyl 2-hydroxy-3-methylbutanoate
TL;DR: Methyl 2-hydroxy-3-methylbutanoate (CAS 91194-74-0) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-3-methylbutanoate
Also Known As: Methyl 2-hydroxy-3-methylbutanoate, 2-hydroxy-3-methylbutyric acid methyl ester, Methyl2-hydroxy-3-methylbutanoate, methyl 2-hydroxy-3-methylbutyrate, Methyl 3-methyl 2-hydroxybutanoate
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 91194-74-0 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)O |
| InChIKey | YSGBMDFJWFIEDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hydroxy-3-methylbutanoate (CAS 91194-74-0), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: methyl 2-hydroxy-3-methylbutanoate.
Chemical Property Profile of Methyl 2-hydroxy-3-methylbutanoate
Property Insights of Methyl 2-hydroxy-3-methylbutanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-3-methylbutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxy-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-3-methylbutanoate 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-hydroxy-3-methylbutanoate?
The CAS number of Methyl 2-hydroxy-3-methylbutanoate is 91194-74-0.
What is the molecular formula of Methyl 2-hydroxy-3-methylbutanoate?
The molecular formula of Methyl 2-hydroxy-3-methylbutanoate is C6H12O3.
What is the molecular weight of Methyl 2-hydroxy-3-methylbutanoate?
The molecular weight of Methyl 2-hydroxy-3-methylbutanoate is 132.08 g/mol.
Where can I buy Methyl 2-hydroxy-3-methylbutanoate?
You can request a quote for Methyl 2-hydroxy-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.