1-Methyl-4-(2-nitroethenyl)benzene
TL;DR: 1-Methyl-4-(2-nitroethenyl)benzene (CAS 5153-69-5) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-nitroethenyl)benzene
Also Known As: 1-methyl-4-(2-nitrovinyl)benzene, 4-methyl-B-nitrostyrene, trans-4-Methyl-beta-nitrostyrene, Maybridge1_006903, (E)-1-methyl-4-(2-nitrovinyl)benzene
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 5153-69-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C[N+](=O)[O-] |
| InChIKey | JSPNBERPFLONRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-(2-nitroethenyl)benzene (CAS 5153-69-5), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-methyl-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 1-Methyl-4-(2-nitroethenyl)benzene
Property Insights of 1-Methyl-4-(2-nitroethenyl)benzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(2-nitroethenyl)benzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Methyl-4-(2-nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(2-nitroethenyl)benzene has 0 hydrogen bond donor(s) and 2 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-Methyl-4-(2-nitroethenyl)benzene?
The CAS number of 1-Methyl-4-(2-nitroethenyl)benzene is 5153-69-5.
What is the molecular formula of 1-Methyl-4-(2-nitroethenyl)benzene?
The molecular formula of 1-Methyl-4-(2-nitroethenyl)benzene is C9H9NO2.
What is the molecular weight of 1-Methyl-4-(2-nitroethenyl)benzene?
The molecular weight of 1-Methyl-4-(2-nitroethenyl)benzene is 163.06 g/mol.
Where can I buy 1-Methyl-4-(2-nitroethenyl)benzene?
You can request a quote for 1-Methyl-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 1-Methyl-4-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.