Pentanoic acid, 2-methyl, 3-methylbutyl ester
TL;DR: Pentanoic acid, 2-methyl, 3-methylbutyl ester (CAS 7597-48-0) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-methylpentanoate
Also Known As: 3-methylbutyl 2-methylpentanoate, Pentanoic acid, 2-methyl, 3-methylbutyl ester, Pentanoic acid,2-methyl,3-methylbutyl ester, Pentanoic acid, 2-methyl-, 3-methylbutyl ester, N-[1-([2-(1-Adamantyl)ethyl]amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-chlorobenzamide
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 7597-48-0 |
|---|---|
| SMILES | CCCC(C)C(=O)OCCC(C)C |
| InChIKey | ACBVJQOFOUNQJU-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, 3-methylbutyl ester (CAS 7597-48-0), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 3-methylbutyl 2-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 2-methyl, 3-methylbutyl ester
Property Insights of Pentanoic acid, 2-methyl, 3-methylbutyl ester
The XLogP value of 3.7 indicates that Pentanoic acid, 2-methyl, 3-methylbutyl 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, 3-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2-methyl, 3-methylbutyl 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, 3-methylbutyl ester?
The CAS number of Pentanoic acid, 2-methyl, 3-methylbutyl ester is 7597-48-0.
What is the molecular formula of Pentanoic acid, 2-methyl, 3-methylbutyl ester?
The molecular formula of Pentanoic acid, 2-methyl, 3-methylbutyl ester is C11H22O2.
What is the molecular weight of Pentanoic acid, 2-methyl, 3-methylbutyl ester?
The molecular weight of Pentanoic acid, 2-methyl, 3-methylbutyl ester is 186.16 g/mol.
Where can I buy Pentanoic acid, 2-methyl, 3-methylbutyl ester?
You can request a quote for Pentanoic acid, 2-methyl, 3-methylbutyl 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, 3-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2-methyl, 3-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.