2-Methoxy-beta-nitrostyrene
TL;DR: 2-Methoxy-beta-nitrostyrene (CAS 40855-14-9) 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-[(E)-2-nitroethenyl]benzene
Also Known As: 1-Methoxy-2-(2-nitrovinyl)benzene, 2-methoxy-beta-nitrostyrene, 1-(2-Methoxyphenyl)-2-nitroethene, 1-Methoxy-2-(2-nitroethenyl)benzene, 2-(2-Nitrovinyl)anisole
| 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 | 40855-14-9 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C/[N+](=O)[O-] |
| InChIKey | FVKSRNVYJXQCLK-VOTSOKGWSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-beta-nitrostyrene (CAS 40855-14-9), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-methoxy-2-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of 2-Methoxy-beta-nitrostyrene
Property Insights of 2-Methoxy-beta-nitrostyrene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-beta-nitrostyrene. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Methoxy-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-beta-nitrostyrene 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-Methoxy-beta-nitrostyrene?
The CAS number of 2-Methoxy-beta-nitrostyrene is 40855-14-9.
What is the molecular formula of 2-Methoxy-beta-nitrostyrene?
The molecular formula of 2-Methoxy-beta-nitrostyrene is C9H9NO3.
What is the molecular weight of 2-Methoxy-beta-nitrostyrene?
The molecular weight of 2-Methoxy-beta-nitrostyrene is 179.06 g/mol.
Where can I buy 2-Methoxy-beta-nitrostyrene?
You can request a quote for 2-Methoxy-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.