Pentanoic acid, 2-methyl-, 2-methylpentyl ester
TL;DR: Pentanoic acid, 2-methyl-, 2-methylpentyl ester (CAS 90397-38-9) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpentyl 2-methylpentanoate
Also Known As: 2-Methylpentyl 2-methylpentanoate, pear valerate, 2-Methylpentyl 2-methylvalerate, 2-methylpentyl2-methylpentanoate, 2-Methylpentyl2-methylvalerate
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 90397-38-9 |
|---|---|
| SMILES | CCCC(C)COC(=O)C(C)CCC |
| InChIKey | UMFWRNLJDQMTFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 2-methyl-, 2-methylpentyl ester (CAS 90397-38-9), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 2-methylpentyl 2-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 2-methyl-, 2-methylpentyl ester
Property Insights of Pentanoic acid, 2-methyl-, 2-methylpentyl ester
The XLogP value of 4.3 indicates that Pentanoic acid, 2-methyl-, 2-methylpentyl 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, 2-methyl-, 2-methylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2-methyl-, 2-methylpentyl 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, 2-methyl-, 2-methylpentyl ester?
The CAS number of Pentanoic acid, 2-methyl-, 2-methylpentyl ester is 90397-38-9.
What is the molecular formula of Pentanoic acid, 2-methyl-, 2-methylpentyl ester?
The molecular formula of Pentanoic acid, 2-methyl-, 2-methylpentyl ester is C12H24O2.
What is the molecular weight of Pentanoic acid, 2-methyl-, 2-methylpentyl ester?
The molecular weight of Pentanoic acid, 2-methyl-, 2-methylpentyl ester is 200.18 g/mol.
Where can I buy Pentanoic acid, 2-methyl-, 2-methylpentyl ester?
You can request a quote for Pentanoic acid, 2-methyl-, 2-methylpentyl 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, 2-methyl-, 2-methylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2-methyl-, 2-methylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.