2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate
TL;DR: 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate (CAS 20227-30-9) is a chemical compound with molecular formula C10H8O8 and molecular weight 256.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate
Also Known As: 2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate, (4-acetyloxy-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl), (4-acetyloxy-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate
| Molecular Formula | C10H8O8 |
|---|---|
| Molecular Weight | 256.02 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0219 |
| Heavy Atoms | 18 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 20227-30-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=O)C(=C(C1=O)O)OC(=O)C)O |
| InChIKey | REECMDYNMZHBHM-UHFFFAOYSA-N |
Product Overview
2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate (CAS 20227-30-9), with molecular formula C10H8O8 and molecular weight 256.02 g/mol. IUPAC: (4-acetyloxy-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate.
Chemical Property Profile of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate
Property Insights of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate
The XLogP value of -0.3 indicates that 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. 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 diacetate. Following Lipinski's Rule of Five, 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate 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 diacetate?
The CAS number of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate is 20227-30-9.
What is the molecular formula of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate?
The molecular formula of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate is C10H8O8.
What is the molecular weight of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate?
The molecular weight of 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate is 256.02 g/mol.
Where can I buy 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate?
You can request a quote for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate 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 diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.