4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester
TL;DR: 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester (CAS 7042-40-2) is a chemical compound with molecular formula C24H42O4 and molecular weight 394.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl cyclohex-4-ene-1,2-dicarboxylate
Also Known As: dioctyl cyclohex-4-ene-1,2-dicarboxylate, Di-N-Octyl 4-cyclohexene-1,2-dicarboxylate, 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester, 1,2-dioctyl cyclohex-4-ene-1,2-dicarboxylate, Cyclohexene-4,5-dicarboxylic acid dioctyl ester
| Molecular Formula | C24H42O4 |
|---|---|
| Molecular Weight | 394.31 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 394.30832 |
| Heavy Atoms | 28 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 7042-40-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCCCCCC |
| InChIKey | WWNWIBTTWTVLMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester (CAS 7042-40-2), with molecular formula C24H42O4 and molecular weight 394.31 g/mol. IUPAC: dioctyl cyclohex-4-ene-1,2-dicarboxylate.
Chemical Property Profile of 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester
Property Insights of 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester
The XLogP value of 7.9 indicates that 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester 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 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester?
The CAS number of 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester is 7042-40-2.
What is the molecular formula of 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester?
The molecular formula of 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester is C24H42O4.
What is the molecular weight of 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester?
The molecular weight of 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester is 394.31 g/mol.
Where can I buy 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester?
You can request a quote for 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.