![Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester structure](/static/products/6756/67567-23-1.webp)
Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester
TL;DR: Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester (CAS 67567-23-1) is a chemical compound with molecular formula C16H32O6 and molecular weight 320.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-bis(2-methylbutan-2-ylperoxy)butanoate
Also Known As: Lupersol 533-M75, Ethyl 3,3-bis(tert-amylperoxy)butyrate, Lupersol 533, Lupersol 533M75, Luperox® 533M75
| Molecular Formula | C16H32O6 |
|---|---|
| Molecular Weight | 320.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 320.21988 |
| Heavy Atoms | 22 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 67567-23-1 |
|---|---|
| SMILES | CCC(C)(C)OOC(C)(CC(=O)OCC)OOC(C)(C)CC |
| InChIKey | NICWAKGKDIAMOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester (CAS 67567-23-1), with molecular formula C16H32O6 and molecular weight 320.22 g/mol. IUPAC: ethyl 3,3-bis(2-methylbutan-2-ylperoxy)butanoate.
Chemical Property Profile of Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester
Property Insights of Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester
The XLogP value of 3.6 indicates that Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester. Following Lipinski's Rule of Five, Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester?
The CAS number of Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester is 67567-23-1.
What is the molecular formula of Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester?
The molecular formula of Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester is C16H32O6.
What is the molecular weight of Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester?
The molecular weight of Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester is 320.22 g/mol.
Where can I buy Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester?
You can request a quote for Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3,3-bis[(1,1-dimethylpropyl)dioxy]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.