2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester
TL;DR: 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester (CAS 57354-82-2) is a chemical compound with molecular formula C39H70O5 and molecular weight 618.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 3-(3,5-ditert-butyl-1-tert-butylperoxy-4-oxocyclohexa-2,5-dien-1-yl)propanoate
Also Known As: 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester, octadecyl 3-(3,5-ditert-butyl-1-tert-butylperoxy-4-oxocyclohexa-2,5-dien-1-yl)propanoate, Octadecyl 3-(4-oxo-3,5-ditert-butyl-1-tert-butylperoxy-1-cyclohexa-2,5-dienyl)propanoate, Octadecyl 3-[3,5-di-tert-butyl-1-(tert-butylperoxy)-4-oxocyclohexa-2,5-dien-1-yl]propanoate
| Molecular Formula | C39H70O5 |
|---|---|
| Molecular Weight | 618.52 g/mol |
| LogP | 13.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 26 |
| Exact Mass | 618.52234 |
| Heavy Atoms | 44 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 57354-82-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)OOC(C)(C)C |
| InChIKey | LFWHHMBLTSDMRB-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester (CAS 57354-82-2), with molecular formula C39H70O5 and molecular weight 618.52 g/mol. IUPAC: octadecyl 3-(3,5-ditert-butyl-1-tert-butylperoxy-4-oxocyclohexa-2,5-dien-1-yl)propanoate.
Chemical Property Profile of 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester
Property Insights of 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester
The XLogP value of 13.8 indicates that 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester?
The CAS number of 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester is 57354-82-2.
What is the molecular formula of 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester?
The molecular formula of 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester is C39H70O5.
What is the molecular weight of 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester?
The molecular weight of 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester is 618.52 g/mol.
Where can I buy 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester?
You can request a quote for 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-((1,1-dimethylethyl)dioxy)-4-oxo-, octadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.