Diisodecyl 4-cyclohexene-1,2-dicarboxylate
TL;DR: Diisodecyl 4-cyclohexene-1,2-dicarboxylate (CAS 87826-26-4) is a chemical compound with molecular formula C28H50O4 and molecular weight 450.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(8-methylnonyl) cyclohex-4-ene-1,2-dicarboxylate
Also Known As: Diisodecyl 4-cyclohexene-1,2-dicarboxylate, bis(8-methylnonyl) cyclohex-4-ene-1,2-dicarboxylate, Diisodecyl tetrahydrophthalate, 1,2,3,6-Tetrahydrophthalic Acid Diisodecyl Ester, NIOSH/GW5180000
| Molecular Formula | C28H50O4 |
|---|---|
| Molecular Weight | 450.37 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 450.3709 |
| Heavy Atoms | 32 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 87826-26-4 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCCCCCC(C)C |
| InChIKey | XRFYGUOAWVKOCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisodecyl 4-cyclohexene-1,2-dicarboxylate (CAS 87826-26-4), with molecular formula C28H50O4 and molecular weight 450.37 g/mol. IUPAC: bis(8-methylnonyl) cyclohex-4-ene-1,2-dicarboxylate.
Chemical Property Profile of Diisodecyl 4-cyclohexene-1,2-dicarboxylate
Property Insights of Diisodecyl 4-cyclohexene-1,2-dicarboxylate
The XLogP value of 9.5 indicates that Diisodecyl 4-cyclohexene-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, Diisodecyl 4-cyclohexene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisodecyl 4-cyclohexene-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
Frequently Asked Questions
What is the CAS number of Diisodecyl 4-cyclohexene-1,2-dicarboxylate?
The CAS number of Diisodecyl 4-cyclohexene-1,2-dicarboxylate is 87826-26-4.
What is the molecular formula of Diisodecyl 4-cyclohexene-1,2-dicarboxylate?
The molecular formula of Diisodecyl 4-cyclohexene-1,2-dicarboxylate is C28H50O4.
What is the molecular weight of Diisodecyl 4-cyclohexene-1,2-dicarboxylate?
The molecular weight of Diisodecyl 4-cyclohexene-1,2-dicarboxylate is 450.37 g/mol.
Where can I buy Diisodecyl 4-cyclohexene-1,2-dicarboxylate?
You can request a quote for Diisodecyl 4-cyclohexene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisodecyl 4-cyclohexene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diisodecyl 4-cyclohexene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.