2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene
TL;DR: 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene (CAS 1081789-94-7) is a chemical compound with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-methoxy-4-[(E)-2-nitroethenyl]benzene
Also Known As: 2-bromo-1-methoxy-4-(2-nitroethenyl)benzene, 2-bromo-1-methoxy-4-(2-nitrovinyl)benzene, 2-bromo-1-methoxy-4-[(E)-2-nitroethenyl]benzene, Cambridge id 7241889
| Molecular Formula | C9H8BrNO3 |
|---|---|
| Molecular Weight | 256.97 g/mol |
| LogP | 2.7051 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.96875 |
| Heavy Atoms | 14 |
| Complexity | 376.31985 |
Chemical Identifiers
| CAS Number | 1081789-94-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])Br |
Product Overview
2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene (CAS 1081789-94-7), with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol. IUPAC: 2-bromo-1-methoxy-4-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene
Property Insights of 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene
The XLogP value of 2.7051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene. With a topological polar surface area (TPSA) of 52.37 Ų, 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene has 0 hydrogen bond donor(s) and 3 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 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene?
The CAS number of 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene is 1081789-94-7.
What is the molecular formula of 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene?
The molecular formula of 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene is C9H8BrNO3.
What is the molecular weight of 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene?
The molecular weight of 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene is 256.97 g/mol.
Where can I buy 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene?
You can request a quote for 2-Bromo-1-methoxy-4-(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 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-methoxy-4-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.