![5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole structure](/static/products/909/90945-72-5.png)
5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole
TL;DR: 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole (CAS 90945-72-5) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole
Also Known As: 5-methoxy-6-(2-nitroethenyl)-1,3-dioxaindane, 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole, BAS 05528533, 5-methoxy-6-(2-nitrovinyl)-1,3-benzodioxole, 5-Methoxy-6-(2-nitro-vinyl)-benzo[1,3]dioxole
| Molecular Formula | C10H9NO5 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 1.6713 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04807 |
| Heavy Atoms | 16 |
| Complexity | 454.76776 |
Chemical Identifiers
| CAS Number | 90945-72-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1/C=C/[N+](=O)[O-])OCO2 |
Product Overview
5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole (CAS 90945-72-5), with molecular formula C10H9NO5 and molecular weight 223.05 g/mol. IUPAC: 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole.
Chemical Property Profile of 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole
Property Insights of 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole
The XLogP value of 1.6713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole 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
Frequently Asked Questions
What is the CAS number of 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole?
The CAS number of 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole is 90945-72-5.
What is the molecular formula of 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole?
The molecular formula of 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole is C10H9NO5.
What is the molecular weight of 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole?
The molecular weight of 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole is 223.05 g/mol.
Where can I buy 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole?
You can request a quote for 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxy-6-[(E)-2-nitroethenyl]-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.