![1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene structure](/static/products/869/86969-37-1.png)
1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene
TL;DR: 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene (CAS 86969-37-1) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[(E)-2-nitroprop-1-enyl]benzene
Also Known As: 1-(3-METHYLPHENYL)-2-NITROPROPENE, 1-methyl-3-[(E)-2-nitroprop-1-enyl]benzene, 3'-beta-Dimethyl-beta-nitrostyrene, 1-methyl-3-(2-nitroprop-1-enyl)benzene, 3-Methyl-.beta.-methyl-.beta.-nitrostyrene
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 2.63252 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 355.6973 |
Chemical Identifiers
| CAS Number | 86969-37-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)/C=C(\C)/[N+](=O)[O-] |
Product Overview
1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene (CAS 86969-37-1), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 1-methyl-3-[(E)-2-nitroprop-1-enyl]benzene.
Chemical Property Profile of 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene
Property Insights of 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene
The XLogP value of 2.63252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]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-3-[(1E)-2-nitro-1-propen-1-yl]benzene?
The CAS number of 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene is 86969-37-1.
What is the molecular formula of 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene?
The molecular formula of 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene is C10H11NO2.
What is the molecular weight of 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene?
The molecular weight of 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene is 177.08 g/mol.
Where can I buy 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene?
You can request a quote for 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]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-3-[(1E)-2-nitro-1-propen-1-yl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-[(1E)-2-nitro-1-propen-1-yl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.