Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester
TL;DR: Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester (CAS 995-33-5) is a chemical compound with molecular formula C17H34O6 and molecular weight 334.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4,4-bis(tert-butylperoxy)pentanoate
Also Known As: Butyl 4,4-bis(tert-butyldioxy)valerate, varox dcp-40ke, Trigonox 17, varox dcp-40c, butyl 4,4-bis(tert-butylperoxy)pentanoate
| Molecular Formula | C17H34O6 |
|---|---|
| Molecular Weight | 334.24 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 334.23553 |
| Heavy Atoms | 23 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 995-33-5 |
|---|---|
| SMILES | CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C |
| InChIKey | BXIQXYOPGBXIEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester (CAS 995-33-5), with molecular formula C17H34O6 and molecular weight 334.24 g/mol. IUPAC: butyl 4,4-bis(tert-butylperoxy)pentanoate.
Chemical Property Profile of Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester
Property Insights of Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester
The XLogP value of 3.8 indicates that Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl 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 Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester. Following Lipinski's Rule of Five, Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl 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 Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester?
The CAS number of Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester is 995-33-5.
What is the molecular formula of Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester?
The molecular formula of Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester is C17H34O6.
What is the molecular weight of Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester?
The molecular weight of Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester is 334.24 g/mol.
Where can I buy Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester?
You can request a quote for Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.