trans-4-Methyl-beta-nitrostyrene
TL;DR: trans-4-Methyl-beta-nitrostyrene (CAS 7559-36-6) 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-[(E)-2-nitroethenyl]benzene
Also Known As: 1-methyl-4-(2-nitrovinyl)benzene, trans-4-Methyl-beta-nitrostyrene, (E)-1-methyl-4-(2-nitrovinyl)benzene, MURISTERONEA, p-Methyl-beta-nitrostyrene
| 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 | 7559-36-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/[N+](=O)[O-] |
| InChIKey | JSPNBERPFLONRX-VOTSOKGWSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-4-Methyl-beta-nitrostyrene (CAS 7559-36-6), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-methyl-4-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of trans-4-Methyl-beta-nitrostyrene
Property Insights of trans-4-Methyl-beta-nitrostyrene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-4-Methyl-beta-nitrostyrene. With a topological polar surface area (TPSA) of 45.8 Ų, trans-4-Methyl-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-4-Methyl-beta-nitrostyrene 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 trans-4-Methyl-beta-nitrostyrene?
The CAS number of trans-4-Methyl-beta-nitrostyrene is 7559-36-6.
What is the molecular formula of trans-4-Methyl-beta-nitrostyrene?
The molecular formula of trans-4-Methyl-beta-nitrostyrene is C9H9NO2.
What is the molecular weight of trans-4-Methyl-beta-nitrostyrene?
The molecular weight of trans-4-Methyl-beta-nitrostyrene is 163.06 g/mol.
Where can I buy trans-4-Methyl-beta-nitrostyrene?
You can request a quote for trans-4-Methyl-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4-Methyl-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for trans-4-Methyl-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.