1-Methoxy-3-(2-nitrovinyl)benzene
TL;DR: 1-Methoxy-3-(2-nitrovinyl)benzene (CAS 5585-60-4) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-3-[(E)-2-nitroethenyl]benzene
Also Known As: 1-Methoxy-3-(2-nitrovinyl)benzene, Anisole, m-(2-nitrovinyl)-, 3-Methoxy-beta-nitrostyrene, Cyto9E7, 3-Methoxy-b-nitrostyrene
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 5585-60-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=C/[N+](=O)[O-] |
| InChIKey | IJBGIPFDIABTKB-AATRIKPKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxy-3-(2-nitrovinyl)benzene (CAS 5585-60-4), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-methoxy-3-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of 1-Methoxy-3-(2-nitrovinyl)benzene
Property Insights of 1-Methoxy-3-(2-nitrovinyl)benzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-3-(2-nitrovinyl)benzene. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Methoxy-3-(2-nitrovinyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-3-(2-nitrovinyl)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 1-Methoxy-3-(2-nitrovinyl)benzene?
The CAS number of 1-Methoxy-3-(2-nitrovinyl)benzene is 5585-60-4.
What is the molecular formula of 1-Methoxy-3-(2-nitrovinyl)benzene?
The molecular formula of 1-Methoxy-3-(2-nitrovinyl)benzene is C9H9NO3.
What is the molecular weight of 1-Methoxy-3-(2-nitrovinyl)benzene?
The molecular weight of 1-Methoxy-3-(2-nitrovinyl)benzene is 179.06 g/mol.
Where can I buy 1-Methoxy-3-(2-nitrovinyl)benzene?
You can request a quote for 1-Methoxy-3-(2-nitrovinyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-3-(2-nitrovinyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-3-(2-nitrovinyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.