Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1)
TL;DR: Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) (CAS 71215-91-3) is a chemical compound with molecular formula C21H23IN2 and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-butylquinolin-1-ium-4-yl)ethenyl]aniline iodide
Also Known As: Quinolinium, 1-butyl-4-[2-(phenylamino)ethenyl]-, iodide, Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide, 4-(2-Anilinoethen-1-yl)-1-butylquinolin-1-ium iodide, Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1), Quinolinium, 1-butyl-4-[2-(phenylamino)ethenyl]-, iodide (1:1)
| Molecular Formula | C21H23IN2 |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 2.01 |
| Topological Polar Surface Area | 15.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.0906 |
| Heavy Atoms | 24 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 71215-91-3 |
|---|---|
| SMILES | CCCC[N+]1=CC=C(C2=CC=CC=C21)C=CNC3=CC=CC=C3.[I-] |
| InChIKey | JCWFAEYHVJQCNY-UHFFFAOYSA-N |
Product Overview
Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) (CAS 71215-91-3), with molecular formula C21H23IN2 and molecular weight 430.09 g/mol. IUPAC: N-[2-(1-butylquinolin-1-ium-4-yl)ethenyl]aniline iodide.
Chemical Property Profile of Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1)
Property Insights of Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1)
The XLogP value of 2.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1). With a topological polar surface area (TPSA) of 15.9 Ų, Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) has 1 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 Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1)?
The CAS number of Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) is 71215-91-3.
What is the molecular formula of Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1)?
The molecular formula of Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) is C21H23IN2.
What is the molecular weight of Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1)?
The molecular weight of Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) is 430.09 g/mol.
Where can I buy Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1)?
You can request a quote for Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1-butyl-4-(2-(phenylamino)ethenyl)-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.