2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate
TL;DR: 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate (CAS 20129-60-6) is a chemical compound with molecular formula C12H12O8 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dihydroxy-3,6-dioxo-4-propanoyloxycyclohexa-1,4-dien-1-yl) propanoate
Also Known As: 2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate, (2,5-dihydroxy-3,6-dioxo-4-propanoyloxycyclohexa-1,4-dien-1-, 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3,6-bis(1-oxopropoxy)-, (2,5-dihydroxy-3,6-dioxo-4-propanoyloxycyclohexa-1,4-dien-1-yl) propanoate
| Molecular Formula | C12H12O8 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.05322 |
| Heavy Atoms | 20 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 20129-60-6 |
|---|---|
| SMILES | CCC(=O)OC1=C(C(=O)C(=C(C1=O)O)OC(=O)CC)O |
| InChIKey | SOAWVLIPJVKEKT-UHFFFAOYSA-N |
Product Overview
2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate (CAS 20129-60-6), with molecular formula C12H12O8 and molecular weight 284.05 g/mol. IUPAC: (2,5-dihydroxy-3,6-dioxo-4-propanoyloxycyclohexa-1,4-dien-1-yl) propanoate.
Chemical Property Profile of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate
Property Insights of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate. Following Lipinski's Rule of Five, 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate has 2 hydrogen bond donor(s) and 8 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 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate?
The CAS number of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate is 20129-60-6.
What is the molecular formula of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate?
The molecular formula of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate is C12H12O8.
What is the molecular weight of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate?
The molecular weight of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate is 284.05 g/mol.
Where can I buy 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate?
You can request a quote for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl dipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.