alpha,alpha-Dimethylbenzyl perbenzoate
TL;DR: alpha,alpha-Dimethylbenzyl perbenzoate (CAS 7074-00-2) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylpropan-2-yl benzenecarboperoxoate
Also Known As: cumyl perbenzoate, alpha,alpha-Dimethylbenzyl perbenzoate, 2-phenylpropan-2-yl benzenecarboperoxoate, alpha,alpha-Dimethylbenzyl peroxybenzoate, Benzenecarboperoxoic acid, 1-methyl-1-phenylethyl ester
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 7074-00-2 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)OOC(=O)C2=CC=CC=C2 |
| InChIKey | IXDKAJLKGJBFHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha-Dimethylbenzyl perbenzoate (CAS 7074-00-2), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 2-phenylpropan-2-yl benzenecarboperoxoate.
Chemical Property Profile of alpha,alpha-Dimethylbenzyl perbenzoate
Property Insights of alpha,alpha-Dimethylbenzyl perbenzoate
The XLogP value of 3.9 indicates that alpha,alpha-Dimethylbenzyl perbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, alpha,alpha-Dimethylbenzyl perbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha-Dimethylbenzyl perbenzoate 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 alpha,alpha-Dimethylbenzyl perbenzoate?
The CAS number of alpha,alpha-Dimethylbenzyl perbenzoate is 7074-00-2.
What is the molecular formula of alpha,alpha-Dimethylbenzyl perbenzoate?
The molecular formula of alpha,alpha-Dimethylbenzyl perbenzoate is C16H16O3.
What is the molecular weight of alpha,alpha-Dimethylbenzyl perbenzoate?
The molecular weight of alpha,alpha-Dimethylbenzyl perbenzoate is 256.11 g/mol.
Where can I buy alpha,alpha-Dimethylbenzyl perbenzoate?
You can request a quote for alpha,alpha-Dimethylbenzyl perbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha-Dimethylbenzyl perbenzoate?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha-Dimethylbenzyl perbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.