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Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-
TL;DR: Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- (CAS 3316-24-3) 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-2-(2-nitroethenyl)benzene
Also Known As: 2-methoxy-beta-nitrostyrene, 1-Methoxy-2-(2-nitroethenyl)benzene, 1-(2-Methoxyphenyl)-2-nitroethene, 1-Methoxy-2-(2-nitrovinyl)benzene, 2-Methoxy-I(2)-nitrostyrene
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 2.1 |
| 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 | 3316-24-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C=C[N+](=O)[O-] |
| InChIKey | FVKSRNVYJXQCLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- (CAS 3316-24-3), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-methoxy-2-(2-nitroethenyl)benzene.
Chemical Property Profile of Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-
Property Insights of Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- 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 Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-?
The CAS number of Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- is 3316-24-3.
What is the molecular formula of Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-?
The molecular formula of Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- is C9H9NO3.
What is the molecular weight of Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-?
The molecular weight of Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- is 179.06 g/mol.
Where can I buy Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-?
You can request a quote for Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methoxy-2-[(1E)-2-nitroethenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.