4-Tert-butyldioxy-4-oxo-2-butenoate
TL;DR: 4-Tert-butyldioxy-4-oxo-2-butenoate (CAS 4701-20-6) is a chemical compound with molecular formula C8H12O5 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-tert-butylperoxy-4-oxobut-2-enoic acid
Also Known As: TERT-BUTYL PEROXYMALEATE, 4-tert-butyldioxy-4-oxo-2-butenoate, 3-(tert-Butylperoxycarbonyl)acrylic acid, 4-Oxo-4-tert-butylperoxy-2-butenoic acid, 4-(tert-Butylperoxy)-4-oxo-2-butenoic acid
| Molecular Formula | C8H12O5 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 0.9005 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.06847 |
| Heavy Atoms | 13 |
| Complexity | 223.17911 |
Chemical Identifiers
| CAS Number | 4701-20-6 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)/C=C/C(=O)O |
Product Overview
4-Tert-butyldioxy-4-oxo-2-butenoate (CAS 4701-20-6), with molecular formula C8H12O5 and molecular weight 188.07 g/mol. IUPAC: (E)-4-tert-butylperoxy-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-Tert-butyldioxy-4-oxo-2-butenoate
Property Insights of 4-Tert-butyldioxy-4-oxo-2-butenoate
The XLogP value of 0.9005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butyldioxy-4-oxo-2-butenoate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Tert-butyldioxy-4-oxo-2-butenoate. Following Lipinski's Rule of Five, 4-Tert-butyldioxy-4-oxo-2-butenoate has 1 hydrogen bond donor(s) and 4 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-butyldioxy-4-oxo-2-butenoate?
The CAS number of 4-Tert-butyldioxy-4-oxo-2-butenoate is 4701-20-6.
What is the molecular formula of 4-Tert-butyldioxy-4-oxo-2-butenoate?
The molecular formula of 4-Tert-butyldioxy-4-oxo-2-butenoate is C8H12O5.
What is the molecular weight of 4-Tert-butyldioxy-4-oxo-2-butenoate?
The molecular weight of 4-Tert-butyldioxy-4-oxo-2-butenoate is 188.07 g/mol.
Where can I buy 4-Tert-butyldioxy-4-oxo-2-butenoate?
You can request a quote for 4-Tert-butyldioxy-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyldioxy-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyldioxy-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.