(E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene
TL;DR: (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene (CAS 128638-55-1) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethoxy-5-(2-nitroprop-1-enyl)benzene
Also Known As: Maybridge1_007358, 1,3-dimethoxy-5-(2-nitroprop-1-enyl)benzene, 1-(3,5-Dimethoxyphenyl)-2-nitropropene, NCI60_020547, 1,3-dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene
Technical Specifications
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.08446 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08446 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | CC(=CC1=CC(=CC(=C1)OC)OC)[N+](=O)[O-] |
| InChIKey | COWWUDOIMZXGFM-UHFFFAOYSA-N |
Chemical Property Profile of (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene
Property Insights of (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene. Following Lipinski's Rule of Five, (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene 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
What is the CAS number of (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene?
The CAS number of (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene is 128638-55-1.
What is the molecular formula of (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene?
The molecular formula of (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene is C11H13NO4.
What is the molecular weight of (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene?
The molecular weight of (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene is 223.08446 g/mol.
Where can I buy (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene?
You can request a quote for (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene?
Yes, CoreyChem provides custom synthesis services for (E)-1,3-Dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.