3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate
TL;DR: 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate (CAS 20129-62-8) is a chemical compound with molecular formula C18H20O10 and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,6-dioxo-2,4,5-tri(propanoyloxy)cyclohexa-1,4-dien-1-yl] propanoate
Also Known As: NCIOpen2_009824, 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate, [3,6-dioxo-2,4,5-tri(propanoyloxy)cyclohexa-1,4-dien-1-yl] p, [3,6-dioxo-2,4,5-tri(propanoyloxy)cyclohexa-1,4-dien-1-yl] propanoate
| Molecular Formula | C18H20O10 |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 396.10565 |
| Heavy Atoms | 28 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 20129-62-8 |
|---|---|
| SMILES | CCC(=O)OC1=C(C(=O)C(=C(C1=O)OC(=O)CC)OC(=O)CC)OC(=O)CC |
| InChIKey | UFGQQAAJMBUODB-UHFFFAOYSA-N |
Product Overview
3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate (CAS 20129-62-8), with molecular formula C18H20O10 and molecular weight 396.11 g/mol. IUPAC: [3,6-dioxo-2,4,5-tri(propanoyloxy)cyclohexa-1,4-dien-1-yl] propanoate.
Chemical Property Profile of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate
Property Insights of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate. 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 tetrapropanoate. Following Lipinski's Rule of Five, 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate 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 tetrapropanoate?
The CAS number of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate is 20129-62-8.
What is the molecular formula of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate?
The molecular formula of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate is C18H20O10.
What is the molecular weight of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate?
The molecular weight of 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate is 396.11 g/mol.
Where can I buy 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate?
You can request a quote for 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate 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 tetrapropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrapropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.