2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate
TL;DR: 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate (CAS 7474-87-5) is a chemical compound with molecular formula C10H6Cl2O6 and molecular weight 291.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate
Also Known As: 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate, (4-acetyloxy-2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate, ACETIC ACID 4-ACETOXY-2,5-DICHLORO-3,6-DIOXO-CYCLOHEXA-1,4-DIENYL ESTER
| Molecular Formula | C10H6Cl2O6 |
|---|---|
| Molecular Weight | 291.95 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.95413 |
| Heavy Atoms | 18 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 7474-87-5 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=O)C(=C(C1=O)Cl)OC(=O)C)Cl |
| InChIKey | DEOHGEJYLQIBEB-UHFFFAOYSA-N |
Product Overview
2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate (CAS 7474-87-5), with molecular formula C10H6Cl2O6 and molecular weight 291.95 g/mol. IUPAC: (4-acetyloxy-2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate.
Chemical Property Profile of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate
Property Insights of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate. Following Lipinski's Rule of Five, 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate has 0 hydrogen bond donor(s) and 6 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-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate?
The CAS number of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate is 7474-87-5.
What is the molecular formula of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate?
The molecular formula of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate is C10H6Cl2O6.
What is the molecular weight of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate?
The molecular weight of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate is 291.95 g/mol.
Where can I buy 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate?
You can request a quote for 2,5-Dichloro-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-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.