1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-
TL;DR: 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)- (CAS 15896-78-3) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole
Also Known As: 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-, J1.223.700F, 4-Methoxy-6-(2-nitroethenyl)-1,3-benzodioxole, 4-Methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole, 4-methoxy-6-(2-nitroethenyl)-2H-1,3-benzodioxole
Technical Specifications
| Molecular Formula | C10H9NO5 |
| Molecular Weight | 223.04807 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04807 Da |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
| SMILES | COC1=CC(=CC2=C1OCO2)/C=C/[N+](=O)[O-] |
| InChIKey | XMXLXUDKGGRTAW-NSCUHMNNSA-N |
Chemical Property Profile of 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-
Property Insights of 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-?
The CAS number of 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)- is 15896-78-3.
What is the molecular formula of 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-?
The molecular formula of 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)- is C10H9NO5.
What is the molecular weight of 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-?
The molecular weight of 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)- is 223.04807 g/mol.
Where can I buy 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-?
You can request a quote for 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.