Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
TL;DR: Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester (CAS 53083-27-5) is a chemical compound with molecular formula C30H38O3 and molecular weight 446.2821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] dodecanoate
Also Known As: 1-Oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl dodecanoate, DODECANOIC ACID, 1-OXO-2-(2,4,6-TRIMETHYLPHENYL)-1H-INDEN-3-YL ESTER, [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] dodecanoate, BRN 2310958
Technical Specifications
| Molecular Formula | C30H38O3 |
| Molecular Weight | 446.2821 g/mol |
| XLogP | 9.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 446.2821 Da |
| Heavy Atoms | 33 |
| Complexity | 666.0 |
| SMILES | CCCCCCCCCCCC(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C |
| InChIKey | XXFRLVPRIUUWHA-UHFFFAOYSA-N |
Chemical Property Profile of Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
Property Insights of Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
The XLogP value of 9.3 indicates that Dodecanoic acid, 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, Dodecanoic acid, 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, Dodecanoic acid, 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
What is the CAS number of Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
The CAS number of Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester is 53083-27-5.
What is the molecular formula of Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
The molecular formula of Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester is C30H38O3.
What is the molecular weight of Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
The molecular weight of Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester is 446.2821 g/mol.
Where can I buy Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
You can request a quote for Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dodecanoic acid, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester?
Yes, CoreyChem provides custom synthesis services for Dodecanoic acid, 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.