2-Pentanone, 4-hydroperoxy-4-methyl-
TL;DR: 2-Pentanone, 4-hydroperoxy-4-methyl- (CAS 28056-59-9) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroperoxy-4-methylpentan-2-one
Also Known As: 4-Hydroperoxy-4-methylpentan-2-one, Methyl isobutyl ketone peroxide, KAYAMEK B, methylisobutylketonperoxid, TRIGONOX HM 80
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 28056-59-9 |
|---|---|
| SMILES | CC(=O)CC(C)(C)OO |
| InChIKey | TVLYPTZVJFAYSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentanone, 4-hydroperoxy-4-methyl- (CAS 28056-59-9), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 4-hydroperoxy-4-methylpentan-2-one.
Chemical Property Profile of 2-Pentanone, 4-hydroperoxy-4-methyl-
Property Insights of 2-Pentanone, 4-hydroperoxy-4-methyl-
The XLogP value of -0.1 indicates that 2-Pentanone, 4-hydroperoxy-4-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Pentanone, 4-hydroperoxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 4-hydroperoxy-4-methyl- has 1 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 2-Pentanone, 4-hydroperoxy-4-methyl-?
The CAS number of 2-Pentanone, 4-hydroperoxy-4-methyl- is 28056-59-9.
What is the molecular formula of 2-Pentanone, 4-hydroperoxy-4-methyl-?
The molecular formula of 2-Pentanone, 4-hydroperoxy-4-methyl- is C6H12O3.
What is the molecular weight of 2-Pentanone, 4-hydroperoxy-4-methyl-?
The molecular weight of 2-Pentanone, 4-hydroperoxy-4-methyl- is 132.08 g/mol.
Where can I buy 2-Pentanone, 4-hydroperoxy-4-methyl-?
You can request a quote for 2-Pentanone, 4-hydroperoxy-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentanone, 4-hydroperoxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, 4-hydroperoxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.