Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester
TL;DR: Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester (CAS 23383-59-7) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylpropan-2-yl 2,2-dimethylpropaneperoxoate
Also Known As: cumyl peroxypivalate, 2-phenylpropan-2-yl 2,2-dimethylpropaneperoxoate, alpha,alpha-Dimethylbenzyl peroxypivalate, Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester, Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethylester
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 23383-59-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)OOC(C)(C)C1=CC=CC=C1 |
| InChIKey | MHJFWPOZAIOCQL-UHFFFAOYSA-N |
Product Overview
Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester (CAS 23383-59-7), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: 2-phenylpropan-2-yl 2,2-dimethylpropaneperoxoate.
Chemical Property Profile of Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester
Property Insights of Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester
The XLogP value of 3.6 indicates that Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester has 0 hydrogen bond donor(s) and 3 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 Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester?
The CAS number of Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester is 23383-59-7.
What is the molecular formula of Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester?
The molecular formula of Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester is C14H20O3.
What is the molecular weight of Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester?
The molecular weight of Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester is 236.14 g/mol.
Where can I buy Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester?
You can request a quote for Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propaneperoxoic acid, 2,2-dimethyl-, 1-methyl-1-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.