Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
TL;DR: Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester (CAS 41905-80-0) is a chemical compound with molecular formula C26H30O3 and molecular weight 390.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] 2-ethylhexanoate
Also Known As: 2-mesityl-1-oxo-1H-inden-3-yl 2-ethylhexanoate, 2-Ethylhexanoic acid 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester, [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] 2-ethylhexanoate, AM-814/41091001, HEXANOIC ACID, 2-ETHYL-, 1-OXO-2-(2,4,6-TRIMETHYLPHENYL)-1H-INDEN-3-YL ESTER
| Molecular Formula | C26H30O3 |
|---|---|
| Molecular Weight | 390.22 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.21948 |
| Heavy Atoms | 29 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 41905-80-0 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C |
| InChIKey | VPZWBKSYSNFFTK-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester (CAS 41905-80-0), with molecular formula C26H30O3 and molecular weight 390.22 g/mol. IUPAC: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] 2-ethylhexanoate.
Chemical Property Profile of Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
Property Insights of Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
The XLogP value of 7.0 indicates that Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
The CAS number of Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester is 41905-80-0.
What is the molecular formula of Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
The molecular formula of Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester is C26H30O3.
What is the molecular weight of Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
The molecular weight of Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester is 390.22 g/mol.
Where can I buy Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
You can request a quote for Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-ethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.