1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione
TL;DR: 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione (CAS 4720-66-5) is a chemical compound with molecular formula C16H10O6 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-dione
Also Known As: Piperil, 1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-dione, 1,2-Bis(benzo[d][1,3]dioxol-5-yl)ethane-1,2-dione, bis(3,4-methylenedioxy)benzil, 3,4'-bis(methylenedioxy)Benzil
| Molecular Formula | C16H10O6 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.04773 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 4720-66-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C(=O)C3=CC4=C(C=C3)OCO4 |
| InChIKey | IUBVHENRQMZUQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione (CAS 4720-66-5), with molecular formula C16H10O6 and molecular weight 298.05 g/mol. IUPAC: 1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-dione.
Chemical Property Profile of 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione
Property Insights of 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione. Following Lipinski's Rule of Five, 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione 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 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione?
The CAS number of 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione is 4720-66-5.
What is the molecular formula of 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione?
The molecular formula of 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione is C16H10O6.
What is the molecular weight of 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione?
The molecular weight of 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione is 298.05 g/mol.
Where can I buy 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione?
You can request a quote for 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(1,3-benzodioxol-5-yl)ethane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.