3-Ethylheptyl 2,5-dimethylheptyl phthalate
TL;DR: 3-Ethylheptyl 2,5-dimethylheptyl phthalate (CAS 97692-55-2) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2,5-dimethylheptyl) 1-O-(3-ethylheptyl) benzene-1,2-dicarboxylate
Also Known As: 3-Ethylheptyl 2,5-dimethylheptyl phthalate, 3-ethylheptyl2,5-dimethylheptylphthalate, 2,5-dimethylheptyl 3-ethylheptyl benzene-1,2-dicarboxylate, 2-O-(2,5-dimethylheptyl) 1-O-(3-ethylheptyl) benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid 1-(2,5-dimethylheptyl)2-(3-ethylheptyl) ester
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 97692-55-2 |
|---|---|
| SMILES | CCCCC(CC)CCOC(=O)C1=CC=CC=C1C(=O)OCC(C)CCC(C)CC |
| InChIKey | RPEMFIXNDWKIKW-UHFFFAOYSA-N |
Product Overview
3-Ethylheptyl 2,5-dimethylheptyl phthalate (CAS 97692-55-2), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: 2-O-(2,5-dimethylheptyl) 1-O-(3-ethylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 3-Ethylheptyl 2,5-dimethylheptyl phthalate
Property Insights of 3-Ethylheptyl 2,5-dimethylheptyl phthalate
The XLogP value of 9.0 indicates that 3-Ethylheptyl 2,5-dimethylheptyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Ethylheptyl 2,5-dimethylheptyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylheptyl 2,5-dimethylheptyl phthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethylheptyl 2,5-dimethylheptyl phthalate?
The CAS number of 3-Ethylheptyl 2,5-dimethylheptyl phthalate is 97692-55-2.
What is the molecular formula of 3-Ethylheptyl 2,5-dimethylheptyl phthalate?
The molecular formula of 3-Ethylheptyl 2,5-dimethylheptyl phthalate is C26H42O4.
What is the molecular weight of 3-Ethylheptyl 2,5-dimethylheptyl phthalate?
The molecular weight of 3-Ethylheptyl 2,5-dimethylheptyl phthalate is 418.31 g/mol.
Where can I buy 3-Ethylheptyl 2,5-dimethylheptyl phthalate?
You can request a quote for 3-Ethylheptyl 2,5-dimethylheptyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylheptyl 2,5-dimethylheptyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylheptyl 2,5-dimethylheptyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.