Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester
TL;DR: Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester (CAS 78350-78-4) is a chemical compound with molecular formula C9H16O6 and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl propan-2-yloxycarbonyloxy carbonate
Also Known As: Isopropyl-sec-butylperoxydicarbonate, Isopropyl sec-butyl peroxydicarbonate, butan-2-yl propan-2-yloxycarbonyloxy carbonate, isopropyl-sec-butyl peroxydicarbonate, Peroxydicarbonic acid, 1-methylethyl 1-methylpropyl ester
| Molecular Formula | C9H16O6 |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 220.09468 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 78350-78-4 |
|---|---|
| SMILES | CCC(C)OC(=O)OOC(=O)OC(C)C |
| InChIKey | AKUHVUBQELUSIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester (CAS 78350-78-4), with molecular formula C9H16O6 and molecular weight 220.09 g/mol. IUPAC: butan-2-yl propan-2-yloxycarbonyloxy carbonate.
Chemical Property Profile of Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester
Property Insights of Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester
The XLogP value of 3.1 indicates that Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester. Following Lipinski's Rule of Five, Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) 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 Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester?
The CAS number of Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester is 78350-78-4.
What is the molecular formula of Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester?
The molecular formula of Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester is C9H16O6.
What is the molecular weight of Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester?
The molecular weight of Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester is 220.09 g/mol.
Where can I buy Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester?
You can request a quote for Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Peroxydicarbonic acid, C-(1-methylethyl) C'-(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.