4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid
TL;DR: 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid (CAS 17854-51-2) is a chemical compound with molecular formula C8H12O6 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylperoxy-4-oxobut-2-eneperoxoic acid
| Molecular Formula | C8H12O6 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.06339 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 17854-51-2 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C=CC(=O)OO |
| InChIKey | RBZDHWBQZNJHBZ-UHFFFAOYSA-N |
Product Overview
4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid (CAS 17854-51-2), with molecular formula C8H12O6 and molecular weight 204.06 g/mol. IUPAC: 4-tert-butylperoxy-4-oxobut-2-eneperoxoic acid.
Chemical Property Profile of 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid
Property Insights of 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid. Following Lipinski's Rule of Five, 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid has 1 hydrogen bond donor(s) and 6 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 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid?
The CAS number of 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid is 17854-51-2.
What is the molecular formula of 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid?
The molecular formula of 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid is C8H12O6.
What is the molecular weight of 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid?
The molecular weight of 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid is 204.06 g/mol.
Where can I buy 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid?
You can request a quote for 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylperoxy-4-oxobut-2-eneperoxoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.