2-t-Butylperoxy-2-ethylbutyl Butyrate
TL;DR: 2-t-Butylperoxy-2-ethylbutyl Butyrate (CAS 139727-33-6) is a chemical compound with molecular formula C14H28O4 and molecular weight 260.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butylperoxy-2-ethylbutyl) butanoate
Also Known As: 2-t-Butylperoxy-2-ethylbutyl Butyrate, 2-(tert-Butylperoxy)-2-ethylbutyl butyrate, (2-tert-butylperoxy-2-ethylbutyl) butanoate, 2-(tert-Butylperoxy)-2-ethylbutyl butyrate #, 2-t-Butylperoxy-2-ethylbutan-1-ol, butyrate ester
| Molecular Formula | C14H28O4 |
|---|---|
| Molecular Weight | 260.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.19876 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 139727-33-6 |
|---|---|
| SMILES | CCCC(=O)OCC(CC)(CC)OOC(C)(C)C |
| InChIKey | FEZZCRZULGCGJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-t-Butylperoxy-2-ethylbutyl Butyrate (CAS 139727-33-6), with molecular formula C14H28O4 and molecular weight 260.20 g/mol. IUPAC: (2-tert-butylperoxy-2-ethylbutyl) butanoate.
Chemical Property Profile of 2-t-Butylperoxy-2-ethylbutyl Butyrate
Property Insights of 2-t-Butylperoxy-2-ethylbutyl Butyrate
The XLogP value of 3.5 indicates that 2-t-Butylperoxy-2-ethylbutyl Butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2-t-Butylperoxy-2-ethylbutyl Butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-t-Butylperoxy-2-ethylbutyl Butyrate has 0 hydrogen bond donor(s) and 4 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 2-t-Butylperoxy-2-ethylbutyl Butyrate?
The CAS number of 2-t-Butylperoxy-2-ethylbutyl Butyrate is 139727-33-6.
What is the molecular formula of 2-t-Butylperoxy-2-ethylbutyl Butyrate?
The molecular formula of 2-t-Butylperoxy-2-ethylbutyl Butyrate is C14H28O4.
What is the molecular weight of 2-t-Butylperoxy-2-ethylbutyl Butyrate?
The molecular weight of 2-t-Butylperoxy-2-ethylbutyl Butyrate is 260.20 g/mol.
Where can I buy 2-t-Butylperoxy-2-ethylbutyl Butyrate?
You can request a quote for 2-t-Butylperoxy-2-ethylbutyl Butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-t-Butylperoxy-2-ethylbutyl Butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-t-Butylperoxy-2-ethylbutyl Butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.