1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate
TL;DR: 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate (CAS 111381-90-9) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.30832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate
Also Known As: Branched and linear heptyl undecyl phthalate, 1,2-Benzenedicarboxylic acid, 1-heptyl 2-undecyl ester, branched and linear, 1,2-Benzenedicarboxylic acid, heptyl undecyl ester, 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, heptyl undecyl ester, branched and linear
Technical Specifications
| Molecular Formula | C26H42O4 |
| Molecular Weight | 418.30832 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 418.30832 Da |
| Heavy Atoms | 30 |
| Complexity | 458.0 |
| SMILES | CCCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC |
| InChIKey | GWGJJINTDSPRJM-UHFFFAOYSA-N |
Chemical Property Profile of 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate
Property Insights of 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate
The XLogP value of 8.7 indicates that 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate?
The CAS number of 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate is 111381-90-9.
What is the molecular formula of 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate?
The molecular formula of 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate is C26H42O4.
What is the molecular weight of 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate?
The molecular weight of 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate is 418.30832 g/mol.
Where can I buy 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate?
You can request a quote for 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.