3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)
TL;DR: 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) (CAS 29877-77-8) is a chemical compound with molecular formula C22H28O10 and molecular weight 452.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4,5-tris(2-methylpropanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylpropanoate
Also Known As: Tetrahydroxychinon-tetraisobutyrat, 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate), [2,4,5-tris(2-methylpropanoyloxy)-3,6-dioxocyclohexa-1,4-die, [2,4,5-tris(2-methylpropanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylpropanoate, Isobutyric acid,tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI)
| Molecular Formula | C22H28O10 |
|---|---|
| Molecular Weight | 452.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 452.16824 |
| Heavy Atoms | 32 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 29877-77-8 |
|---|---|
| SMILES | CC(C)C(=O)OC1=C(C(=O)C(=C(C1=O)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C |
| InChIKey | YJTMPPLOGFETMM-UHFFFAOYSA-N |
Product Overview
3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) (CAS 29877-77-8), with molecular formula C22H28O10 and molecular weight 452.17 g/mol. IUPAC: [2,4,5-tris(2-methylpropanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylpropanoate.
Chemical Property Profile of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)
Property Insights of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)
The XLogP value of 4.0 indicates that 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate). Following Lipinski's Rule of Five, 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) has 0 hydrogen bond donor(s) and 10 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 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)?
The CAS number of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) is 29877-77-8.
What is the molecular formula of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)?
The molecular formula of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) is C22H28O10.
What is the molecular weight of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)?
The molecular weight of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) is 452.17 g/mol.
Where can I buy 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)?
You can request a quote for 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.