2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate
TL;DR: 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate (CAS 308122-59-0) is a chemical compound with molecular formula C26H18N2O4S and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate
Also Known As: 2-isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate, 2-isoquinolin-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxo-naphthalen-1-olate
| Molecular Formula | C26H18N2O4S |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 3.14802 |
| Topological Polar Surface Area | 90.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.09872 |
| Heavy Atoms | 33 |
| Complexity | 1601.1866 |
Chemical Identifiers
| CAS Number | 308122-59-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC5=CC=CC=C5C=C4 |
Product Overview
2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate (CAS 308122-59-0), with molecular formula C26H18N2O4S and molecular weight 454.10 g/mol. IUPAC: 2-isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate.
Chemical Property Profile of 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate
Property Insights of 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate
The XLogP value of 3.14802 indicates that 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate. Following Lipinski's Rule of Five, 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate 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 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate?
The CAS number of 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate is 308122-59-0.
What is the molecular formula of 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate?
The molecular formula of 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate is C26H18N2O4S.
What is the molecular weight of 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate?
The molecular weight of 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate is 454.10 g/mol.
Where can I buy 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate?
You can request a quote for 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isoquinolin-2-ium-2-yl-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.