Hydroperoxide, ((1-methylethyl)phenyl)methyl
TL;DR: Hydroperoxide, ((1-methylethyl)phenyl)methyl (CAS 86933-99-5) is a chemical compound with molecular formula CC(C)C1=CC=CC=C1COO and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(hydroperoxymethyl)-2-propan-2-ylbenzene
Also Known As: Cuminyl hydroperoxide, o-Cumenylmethyl hydroperoxide, [2-(propan-2-yl)phenyl]methaneperoxol, hydroperoxide,((1-methylethyl)phenyl)methyl, Hydroperoxide, ((1-methylethyl)phenyl)methyl
| Molecular Formula | CC(C)C1=CC=CC=C1COO |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 86933-99-5 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1COO |
| InChIKey | IHGXYVRBCMDFET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroperoxide, ((1-methylethyl)phenyl)methyl (CAS 86933-99-5), with molecular formula CC(C)C1=CC=CC=C1COO and molecular weight 166.10 g/mol. IUPAC: 1-(hydroperoxymethyl)-2-propan-2-ylbenzene.
Chemical Property Profile of Hydroperoxide, ((1-methylethyl)phenyl)methyl
Property Insights of Hydroperoxide, ((1-methylethyl)phenyl)methyl
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroperoxide, ((1-methylethyl)phenyl)methyl. With a topological polar surface area (TPSA) of 29.5 Ų, Hydroperoxide, ((1-methylethyl)phenyl)methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroperoxide, ((1-methylethyl)phenyl)methyl has 1 hydrogen bond donor(s) and 2 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 Hydroperoxide, ((1-methylethyl)phenyl)methyl?
The CAS number of Hydroperoxide, ((1-methylethyl)phenyl)methyl is 86933-99-5.
What is the molecular formula of Hydroperoxide, ((1-methylethyl)phenyl)methyl?
The molecular formula of Hydroperoxide, ((1-methylethyl)phenyl)methyl is CC(C)C1=CC=CC=C1COO.
What is the molecular weight of Hydroperoxide, ((1-methylethyl)phenyl)methyl?
The molecular weight of Hydroperoxide, ((1-methylethyl)phenyl)methyl is 166.10 g/mol.
Where can I buy Hydroperoxide, ((1-methylethyl)phenyl)methyl?
You can request a quote for Hydroperoxide, ((1-methylethyl)phenyl)methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroperoxide, ((1-methylethyl)phenyl)methyl?
Yes, KEHONG BIO provides custom synthesis services for Hydroperoxide, ((1-methylethyl)phenyl)methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.