Butyl 3,3-bis((tert-butyl)dioxy)butyrate
TL;DR: Butyl 3,3-bis((tert-butyl)dioxy)butyrate (CAS 26511-61-5) 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.
butyl 3,3-bis(tert-butylperoxy)butanoate
Also Known As: butyl3,3-bis[dioxy]butyrate, butyl3,3-bis[ dioxy]butyrate, Butyl 3,3-bis((tert-butyl)dioxy)butyrate, butyl 3,3-bis(tert-butylperoxy)butanoate, BUTYL 3,3-BIS[(TERT-BUTYL)DIOXY]BUTYRATE
| Molecular Formula | C16H32O6 |
|---|---|
| Molecular Weight | 320.22 g/mol |
| LogP | 3.4 |
| 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 | 309.0 |
Chemical Identifiers
| CAS Number | 26511-61-5 |
|---|---|
| SMILES | CCCCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C |
| InChIKey | FGTGLSICSXCNJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 3,3-bis((tert-butyl)dioxy)butyrate (CAS 26511-61-5), with molecular formula C16H32O6 and molecular weight 320.22 g/mol. IUPAC: butyl 3,3-bis(tert-butylperoxy)butanoate.
Chemical Property Profile of Butyl 3,3-bis((tert-butyl)dioxy)butyrate
Property Insights of Butyl 3,3-bis((tert-butyl)dioxy)butyrate
The XLogP value of 3.4 indicates that Butyl 3,3-bis((tert-butyl)dioxy)butyrate 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 Butyl 3,3-bis((tert-butyl)dioxy)butyrate. Following Lipinski's Rule of Five, Butyl 3,3-bis((tert-butyl)dioxy)butyrate 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 Butyl 3,3-bis((tert-butyl)dioxy)butyrate?
The CAS number of Butyl 3,3-bis((tert-butyl)dioxy)butyrate is 26511-61-5.
What is the molecular formula of Butyl 3,3-bis((tert-butyl)dioxy)butyrate?
The molecular formula of Butyl 3,3-bis((tert-butyl)dioxy)butyrate is C16H32O6.
What is the molecular weight of Butyl 3,3-bis((tert-butyl)dioxy)butyrate?
The molecular weight of Butyl 3,3-bis((tert-butyl)dioxy)butyrate is 320.22 g/mol.
Where can I buy Butyl 3,3-bis((tert-butyl)dioxy)butyrate?
You can request a quote for Butyl 3,3-bis((tert-butyl)dioxy)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3,3-bis((tert-butyl)dioxy)butyrate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3,3-bis((tert-butyl)dioxy)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.