Methyl 2-methylpentanoate
TL;DR: Methyl 2-methylpentanoate (CAS 151409-53-9) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylpentanoate
Also Known As: Methyl 2-methylpentanoate, Methyl 2-methylvalerate, 2-Methylpentanoic acid methyl ester, methyl 2-methyl valerate, Valproic Acid Impurity 20
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 151409-53-9 |
|---|---|
| SMILES | CCCC(C)C(=O)OC |
| InChIKey | ZTULNMNIVVMLIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methylpentanoate (CAS 151409-53-9), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: methyl 2-methylpentanoate.
Chemical Property Profile of Methyl 2-methylpentanoate
Property Insights of Methyl 2-methylpentanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methylpentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methylpentanoate has 0 hydrogen bond donor(s) and 2 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-methylpentanoate?
The CAS number of Methyl 2-methylpentanoate is 151409-53-9.
What is the molecular formula of Methyl 2-methylpentanoate?
The molecular formula of Methyl 2-methylpentanoate is C7H14O2.
What is the molecular weight of Methyl 2-methylpentanoate?
The molecular weight of Methyl 2-methylpentanoate is 130.10 g/mol.
Where can I buy Methyl 2-methylpentanoate?
You can request a quote for Methyl 2-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-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.