Tert-butyl 4-methylperoxy-4-oxobut-2-enoate
TL;DR: Tert-butyl 4-methylperoxy-4-oxobut-2-enoate (CAS 49681-66-5) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-methylperoxy-4-oxobut-2-enoate
Also Known As: (E)-4-Tert-butoxy-4-oxo-2-buteneperoxoic acidmethyl ester, TERT-BUTYL (E)-4-METHYLPEROXY-4-OXO-BUT-2-ENOATE
| Molecular Formula | C9H14O5 |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.08412 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 49681-66-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C=CC(=O)OOC |
| InChIKey | AGGIIQIMAQADRW-UHFFFAOYSA-N |
Product Overview
Tert-butyl 4-methylperoxy-4-oxobut-2-enoate (CAS 49681-66-5), with molecular formula C9H14O5 and molecular weight 202.08 g/mol. IUPAC: tert-butyl 4-methylperoxy-4-oxobut-2-enoate.
Chemical Property Profile of Tert-butyl 4-methylperoxy-4-oxobut-2-enoate
Property Insights of Tert-butyl 4-methylperoxy-4-oxobut-2-enoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-methylperoxy-4-oxobut-2-enoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-methylperoxy-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Tert-butyl 4-methylperoxy-4-oxobut-2-enoate 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 Tert-butyl 4-methylperoxy-4-oxobut-2-enoate?
The CAS number of Tert-butyl 4-methylperoxy-4-oxobut-2-enoate is 49681-66-5.
What is the molecular formula of Tert-butyl 4-methylperoxy-4-oxobut-2-enoate?
The molecular formula of Tert-butyl 4-methylperoxy-4-oxobut-2-enoate is C9H14O5.
What is the molecular weight of Tert-butyl 4-methylperoxy-4-oxobut-2-enoate?
The molecular weight of Tert-butyl 4-methylperoxy-4-oxobut-2-enoate is 202.08 g/mol.
Where can I buy Tert-butyl 4-methylperoxy-4-oxobut-2-enoate?
You can request a quote for Tert-butyl 4-methylperoxy-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-methylperoxy-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-methylperoxy-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.