Methyl 2-hydroxy-4-methylpentanoate
TL;DR: Methyl 2-hydroxy-4-methylpentanoate (CAS 40348-72-9) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-methylpentanoate
Also Known As: Methyl 2-hydroxy-4-methylpentanoate, Methyl 2-hydroxy-4-methylvalerate, Methyl DL-Leucate, methyl leucate, Methyl 2-hydroxyisocaproate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
| Density | 0.951-0.957 |
| Solubility | slightly soluble in water; soluble in fat |
| Refractive Index | 1.425-1.435 |
Chemical Identifiers
| CAS Number | 40348-72-9 |
|---|---|
| SMILES | CC(C)CC(C(=O)OC)O |
| InChIKey | JOSNYUDSMPILKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hydroxy-4-methylpentanoate (CAS 40348-72-9), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: methyl 2-hydroxy-4-methylpentanoate.
Chemical Property Profile of Methyl 2-hydroxy-4-methylpentanoate
Property Insights of Methyl 2-hydroxy-4-methylpentanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-4-methylpentanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxy-4-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-4-methylpentanoate 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-4-methylpentanoate?
The CAS number of Methyl 2-hydroxy-4-methylpentanoate is 40348-72-9.
What is the molecular formula of Methyl 2-hydroxy-4-methylpentanoate?
The molecular formula of Methyl 2-hydroxy-4-methylpentanoate is C7H14O3.
What is the molecular weight of Methyl 2-hydroxy-4-methylpentanoate?
The molecular weight of Methyl 2-hydroxy-4-methylpentanoate is 146.09 g/mol.
Where can I buy Methyl 2-hydroxy-4-methylpentanoate?
You can request a quote for Methyl 2-hydroxy-4-methylpentanoate 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-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.