![Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]butyl ester structure](/static/products/2344/23448-68-2.webp)
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 23448-68-2) 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.
4,4-bis(tert-butylperoxy)butyl pentanoate
Also Known As: 4,4-Bis(tert-butylperoxy)butyl valerate, 4,4-bis(tert-butylperoxy)butyl pentanoate, 4,4-di-t-butyl peroxy-n-butyl valerate, Valeric acid, 4,4-bis(tert-butyldioxy)butyl ester, Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)butyl ester
| Molecular Formula | C17H34O6 |
|---|---|
| Molecular Weight | 334.24 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 334.23553 |
| Heavy Atoms | 23 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 23448-68-2 |
|---|---|
| SMILES | CCCCC(=O)OCCCC(OOC(C)(C)C)OOC(C)(C)C |
| InChIKey | UVWVIEBLYRKAFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]butyl ester (CAS 23448-68-2), with molecular formula C17H34O6 and molecular weight 334.24 g/mol. IUPAC: 4,4-bis(tert-butylperoxy)butyl 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 4.1 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 23448-68-2.
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.