1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate
TL;DR: 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate (CAS 111381-89-6) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate
Also Known As: 1,2-Benzenedicarboxylic acid, heptyl nonyl ester, Branched and linear heptyl nonyl phthalate, 1,2-Benzenedicarboxylic acid, heptyl nonyl ester, branched and linear, 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, C7,C9-branched and linear dialkyl ester
Technical Specifications
| Molecular Formula | C24H38O4 |
| Molecular Weight | 390.277 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 390.277 Da |
| Heavy Atoms | 28 |
| Complexity | 430.0 |
| SMILES | CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC |
| InChIKey | ZEJZEEQJSOINEV-UHFFFAOYSA-N |
Chemical Property Profile of 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate
Property Insights of 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate
The XLogP value of 7.6 indicates that 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) 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-propylhexyl) 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-propylhexyl) 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-propylhexyl) benzene-1,2-dicarboxylate?
The CAS number of 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate is 111381-89-6.
What is the molecular formula of 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate?
The molecular formula of 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate is C24H38O4.
What is the molecular weight of 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate?
The molecular weight of 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate is 390.277 g/mol.
Where can I buy 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate?
You can request a quote for 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) 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-propylhexyl) benzene-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.