1-(3,4-Dimethoxyphenyl)-2-nitropropene
TL;DR: 1-(3,4-Dimethoxyphenyl)-2-nitropropene (CAS 124495-56-3) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
Also Known As: 3,4-dimethoxy-beta-methyl-beta-nitrostyrene, 1,2-dimethoxy-4-(2-nitroprop-1-en-1-yl)benzene, EINECS 204-547-8, 1-(3,4-Dimethoxyphenyl)-2-nitropropene, 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 124495-56-3 |
|---|---|
| SMILES | C/C(=C\C1=CC(=C(C=C1)OC)OC)/[N+](=O)[O-] |
| InChIKey | JGFBGRHDJMANRR-SOFGYWHQSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Dimethoxyphenyl)-2-nitropropene (CAS 124495-56-3), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-2-nitropropene
Property Insights of 1-(3,4-Dimethoxyphenyl)-2-nitropropene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)-2-nitropropene. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxyphenyl)-2-nitropropene. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-2-nitropropene has 0 hydrogen bond donor(s) and 4 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-(3,4-Dimethoxyphenyl)-2-nitropropene?
The CAS number of 1-(3,4-Dimethoxyphenyl)-2-nitropropene is 124495-56-3.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-2-nitropropene?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-2-nitropropene is C11H13NO4.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-2-nitropropene?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-2-nitropropene is 223.08 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-2-nitropropene?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-2-nitropropene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxyphenyl)-2-nitropropene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-2-nitropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.