Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester
TL;DR: Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester (CAS 29269-20-3) is a chemical compound with molecular formula C9H16O5 and molecular weight 204.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-tert-butylperoxy-4-oxobutanoate
Also Known As: Oo-t-butyl o-methylsuccinate, methyl 4-tert-butylperoxy-4-oxobutanoate, Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester, METHYL 4-(TERT-BUTYLPEROXY)-4-OXOBUTANOATE, Butaneperoxoic acid,4-methoxy-4-oxo-,1,1-dimethylethyl ester
| Molecular Formula | C9H16O5 |
|---|---|
| Molecular Weight | 204.10 g/mol |
| LogP | 1.2129 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.09978 |
| Heavy Atoms | 14 |
| Complexity | 203.73808 |
Chemical Identifiers
| CAS Number | 29269-20-3 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)CCC(=O)OC |
Product Overview
Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester (CAS 29269-20-3), with molecular formula C9H16O5 and molecular weight 204.10 g/mol. IUPAC: methyl 4-tert-butylperoxy-4-oxobutanoate.
Chemical Property Profile of Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester
Property Insights of Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester
The XLogP value of 1.2129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester has 0 hydrogen bond donor(s) and 5 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 Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester?
The CAS number of Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester is 29269-20-3.
What is the molecular formula of Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester?
The molecular formula of Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester is C9H16O5.
What is the molecular weight of Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester?
The molecular weight of Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester is 204.10 g/mol.
Where can I buy Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester?
You can request a quote for Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butaneperoxoic acid, 4-methoxy-4-oxo-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.