1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone
TL;DR: 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone (CAS 4720-82-5) is a chemical compound with molecular formula C16H12O6 and molecular weight 300.06 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)-2-hydroxyethanone
Also Known As: Piperoin, Piperonyloin, 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone, Bis(3,4-methylenedioxy)benzoin, AI3-03738
| Molecular Formula | C16H12O6 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0634 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 4720-82-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=CC4=C(C=C3)OCO4)O |
| InChIKey | BNSRFLSWNIACBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone (CAS 4720-82-5), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: 1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone.
Chemical Property Profile of 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone
Property Insights of 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone. Following Lipinski's Rule of Five, 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone has 1 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)-2-hydroxyethanone?
The CAS number of 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone is 4720-82-5.
What is the molecular formula of 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone?
The molecular formula of 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone is C16H12O6.
What is the molecular weight of 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone?
The molecular weight of 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone is 300.06 g/mol.
Where can I buy 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone?
You can request a quote for 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone 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)-2-hydroxyethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.