1-Hydroperoxy-4-methylpentan-2-one
TL;DR: 1-Hydroperoxy-4-methylpentan-2-one (CAS 59472-06-9) 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.
1-hydroperoxy-4-methylpentan-2-one
Also Known As: 1-Hydroperoxy-4-methylpentan-2-one, 1-hydroperoxy-4-methyl-pentan-2-one, 1-Hydroperoxy-4-methyl-2-pentanone, 4-METHYL-2-PENTANONE PEROXIDE, 2-Pentanone, 1-hydroperoxy-4-methyl-
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 59472-06-9 |
|---|---|
| SMILES | CC(C)CC(=O)COO |
| InChIKey | WIJQJQZZCNTOCF-UHFFFAOYSA-N |
Product Overview
1-Hydroperoxy-4-methylpentan-2-one (CAS 59472-06-9), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 1-hydroperoxy-4-methylpentan-2-one.
Chemical Property Profile of 1-Hydroperoxy-4-methylpentan-2-one
Property Insights of 1-Hydroperoxy-4-methylpentan-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroperoxy-4-methylpentan-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Hydroperoxy-4-methylpentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroperoxy-4-methylpentan-2-one 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 1-Hydroperoxy-4-methylpentan-2-one?
The CAS number of 1-Hydroperoxy-4-methylpentan-2-one is 59472-06-9.
What is the molecular formula of 1-Hydroperoxy-4-methylpentan-2-one?
The molecular formula of 1-Hydroperoxy-4-methylpentan-2-one is C6H12O3.
What is the molecular weight of 1-Hydroperoxy-4-methylpentan-2-one?
The molecular weight of 1-Hydroperoxy-4-methylpentan-2-one is 132.08 g/mol.
Where can I buy 1-Hydroperoxy-4-methylpentan-2-one?
You can request a quote for 1-Hydroperoxy-4-methylpentan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroperoxy-4-methylpentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroperoxy-4-methylpentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.