8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester
TL;DR: 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester (CAS 158729-17-0) is a chemical compound with molecular formula C16H12N2O5S and molecular weight 344.0467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-2-nitrophenyl) quinoline-8-sulfonate
Also Known As: 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester, 4-methyl-2-nitrophenyl quinoline-8-sulfonate, (4-methyl-2-nitrophenyl) quinoline-8-sulfonate, Quinoline-8-sulfonic acid 2-nitro-4-methylphenyl ester, CCRIS 6939
Technical Specifications
| Molecular Formula | C16H12N2O5S |
| Molecular Weight | 344.0467 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.0467 Da |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
| SMILES | CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | MRAPSTVHQLLPNW-UHFFFAOYSA-N |
Chemical Property Profile of 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester
Property Insights of 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester
The XLogP value of 3.5 indicates that 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester. Following Lipinski's Rule of Five, 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester?
The CAS number of 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester is 158729-17-0.
What is the molecular formula of 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester?
The molecular formula of 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester is C16H12N2O5S.
What is the molecular weight of 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester?
The molecular weight of 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester is 344.0467 g/mol.
Where can I buy 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester?
You can request a quote for 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester?
Yes, CoreyChem provides custom synthesis services for 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.