Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-
TL;DR: Benzene, 1,2-diethoxy-4-(2-nitroethenyl)- (CAS 40665-53-0) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diethoxy-4-(2-nitroethenyl)benzene
Also Known As: 1,2-diethoxy-4-(2-nitroethenyl)benzene, Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-, 1,2-diethoxy-4-(2-nitrovinyl)benzene, Benzene,1,2-diethoxy-4-(2-nitroethenyl), 1,2-Diethoxy-4-(2-nitroethen-1-yl)benzene
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 40665-53-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C=C[N+](=O)[O-])OCC |
| InChIKey | QDNWHYOIWPSPEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2-diethoxy-4-(2-nitroethenyl)- (CAS 40665-53-0), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 1,2-diethoxy-4-(2-nitroethenyl)benzene.
Chemical Property Profile of Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-
Property Insights of Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-. Following Lipinski's Rule of Five, Benzene, 1,2-diethoxy-4-(2-nitroethenyl)- 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 Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-?
The CAS number of Benzene, 1,2-diethoxy-4-(2-nitroethenyl)- is 40665-53-0.
What is the molecular formula of Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-?
The molecular formula of Benzene, 1,2-diethoxy-4-(2-nitroethenyl)- is C12H15NO4.
What is the molecular weight of Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-?
The molecular weight of Benzene, 1,2-diethoxy-4-(2-nitroethenyl)- is 237.10 g/mol.
Where can I buy Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-?
You can request a quote for Benzene, 1,2-diethoxy-4-(2-nitroethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2-diethoxy-4-(2-nitroethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2-diethoxy-4-(2-nitroethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.