(E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate
TL;DR: (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate (CAS 25910-85-4) is a chemical compound with molecular formula C21H22N2O7S and molecular weight 446.11478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]quinolin-1-ium;methyl sulfate
Also Known As: Pinacryptol yellow, Pinakryptol Yellow, 6-Ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate, (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate, Quinolinium, 6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]-, methyl sulfate (1:1)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H22N2O7S |
| Molecular Weight | 446.11478 g/mol |
| XLogP | 3.23 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.11478 Da |
| Heavy Atoms | 31 |
| Complexity | 567.0 |
| SMILES | CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC(=CC=C3)[N+](=O)[O-])C.COS(=O)(=O)[O-] |
| InChIKey | ZXQHSPWBYMLHLB-UHFFFAOYSA-M |
Chemical Property Profile of (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate
Property Insights of (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate
The XLogP value of 3.23 indicates that (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate. Following Lipinski's Rule of Five, (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate has 0 hydrogen bond donor(s) and 7 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)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate?
The CAS number of (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate is 25910-85-4.
What is the molecular formula of (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate?
The molecular formula of (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate is C21H22N2O7S.
What is the molecular weight of (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate?
The molecular weight of (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate is 446.11478 g/mol.
Where can I buy (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate?
You can request a quote for (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate?
Yes, CoreyChem provides custom synthesis services for (E)-6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolin-1-ium methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.