4-Methoxy-beta-nitrostyrene
TL;DR: 4-Methoxy-beta-nitrostyrene (CAS 3179-10-0) 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-4-(2-nitroethenyl)benzene
Also Known As: 4-Methoxy-beta-nitrostyrene, T4MeN compound, T4MN compound, p-Methoxynitrostyrol, p-methoxy nitrostyrene
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 2.2 |
| 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 | 190.0 |
Chemical Identifiers
| CAS Number | 3179-10-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C[N+](=O)[O-] |
| InChIKey | JKQUXSHVQGBODD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-beta-nitrostyrene (CAS 3179-10-0), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-methoxy-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 4-Methoxy-beta-nitrostyrene
Property Insights of 4-Methoxy-beta-nitrostyrene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-beta-nitrostyrene. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Methoxy-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Methoxy-beta-nitrostyrene?
The CAS number of 4-Methoxy-beta-nitrostyrene is 3179-10-0.
What is the molecular formula of 4-Methoxy-beta-nitrostyrene?
The molecular formula of 4-Methoxy-beta-nitrostyrene is C9H9NO3.
What is the molecular weight of 4-Methoxy-beta-nitrostyrene?
The molecular weight of 4-Methoxy-beta-nitrostyrene is 179.06 g/mol.
Where can I buy 4-Methoxy-beta-nitrostyrene?
You can request a quote for 4-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 4-Methoxy-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.