5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene
TL;DR: 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene (CAS 1986-07-8) is a chemical compound with molecular formula C10H10BrNO4 and molecular weight 286.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,2-dimethoxy-3-[(E)-2-nitroethenyl]benzene
Also Known As: 5-bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene
| Molecular Formula | C10H10BrNO4 |
|---|---|
| Molecular Weight | 286.98 g/mol |
| LogP | 2.7137 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.9793 |
| Heavy Atoms | 16 |
| Complexity | 431.07236 |
Chemical Identifiers
| CAS Number | 1986-07-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)/C=C/[N+](=O)[O-])Br |
Product Overview
5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene (CAS 1986-07-8), with molecular formula C10H10BrNO4 and molecular weight 286.98 g/mol. IUPAC: 5-bromo-1,2-dimethoxy-3-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene
Property Insights of 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene
The XLogP value of 2.7137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene. Following Lipinski's Rule of Five, 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene has 0 hydrogen bond donor(s) and 4 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-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene?
The CAS number of 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene is 1986-07-8.
What is the molecular formula of 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene?
The molecular formula of 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene is C10H10BrNO4.
What is the molecular weight of 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene?
The molecular weight of 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene is 286.98 g/mol.
Where can I buy 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene?
You can request a quote for 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1,2-dimethoxy-3-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.