Pentanoic acid, 4-methyl, 2-methylpropyl ester
TL;DR: Pentanoic acid, 4-methyl, 2-methylpropyl ester (CAS 25415-70-7) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-methylpentanoate
Also Known As: 2-methylpropyl 4-methylpentanoate, 4-methyl-valeric acid isobutyl ester, Pentanoic acid, 4-methyl, 2-methylpropyl ester
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 25415-70-7 |
|---|---|
| SMILES | CC(C)CCC(=O)OCC(C)C |
| InChIKey | KCLPHAFBBIUUNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 4-methyl, 2-methylpropyl ester (CAS 25415-70-7), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-methylpropyl 4-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 4-methyl, 2-methylpropyl ester
Property Insights of Pentanoic acid, 4-methyl, 2-methylpropyl ester
The XLogP value of 3.1 indicates that Pentanoic acid, 4-methyl, 2-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentanoic acid, 4-methyl, 2-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 4-methyl, 2-methylpropyl ester 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 Pentanoic acid, 4-methyl, 2-methylpropyl ester?
The CAS number of Pentanoic acid, 4-methyl, 2-methylpropyl ester is 25415-70-7.
What is the molecular formula of Pentanoic acid, 4-methyl, 2-methylpropyl ester?
The molecular formula of Pentanoic acid, 4-methyl, 2-methylpropyl ester is C10H20O2.
What is the molecular weight of Pentanoic acid, 4-methyl, 2-methylpropyl ester?
The molecular weight of Pentanoic acid, 4-methyl, 2-methylpropyl ester is 172.15 g/mol.
Where can I buy Pentanoic acid, 4-methyl, 2-methylpropyl ester?
You can request a quote for Pentanoic acid, 4-methyl, 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4-methyl, 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-methyl, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.