Butanoic acid, 2-ethyl, 3-methylbutyl ester
TL;DR: Butanoic acid, 2-ethyl, 3-methylbutyl ester (CAS 69891-62-9) 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-ethylbutanoate
Also Known As: 3-methylbutyl 2-ethylbutanoate, 3-methylbutyl-2-ethylbutanoate, Butanoic acid, 2-ethyl, 3-methylbutyl ester, 2-ethyl-,3-methylbutyl ester,Butanoic acid, 3-(4-Ethyl-phenyl)-4-methyl-2-(2,2,2-trifluoro-1-methoxycarbonyl-ethylidene)-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.6 |
| 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 | 137.0 |
Chemical Identifiers
| CAS Number | 69891-62-9 |
|---|---|
| SMILES | CCC(CC)C(=O)OCCC(C)C |
| InChIKey | MRLMZALHISCUEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-ethyl, 3-methylbutyl ester (CAS 69891-62-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 3-methylbutyl 2-ethylbutanoate.
Chemical Property Profile of Butanoic acid, 2-ethyl, 3-methylbutyl ester
Property Insights of Butanoic acid, 2-ethyl, 3-methylbutyl ester
The XLogP value of 3.6 indicates that Butanoic acid, 2-ethyl, 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, Butanoic acid, 2-ethyl, 3-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-ethyl, 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 Butanoic acid, 2-ethyl, 3-methylbutyl ester?
The CAS number of Butanoic acid, 2-ethyl, 3-methylbutyl ester is 69891-62-9.
What is the molecular formula of Butanoic acid, 2-ethyl, 3-methylbutyl ester?
The molecular formula of Butanoic acid, 2-ethyl, 3-methylbutyl ester is C11H22O2.
What is the molecular weight of Butanoic acid, 2-ethyl, 3-methylbutyl ester?
The molecular weight of Butanoic acid, 2-ethyl, 3-methylbutyl ester is 186.16 g/mol.
Where can I buy Butanoic acid, 2-ethyl, 3-methylbutyl ester?
You can request a quote for Butanoic acid, 2-ethyl, 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 Butanoic acid, 2-ethyl, 3-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-ethyl, 3-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.