TL;DR: 4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide (CAS 892624-14-5) is a chemical compound with molecular formula C20H19BrN4O2S and molecular weight 458.0412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide
Also Known As: 4-bromo-N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide, 4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide, 4-bromo-N-[(3E)-1-butyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
| Molecular Formula | C20H19BrN4O2S |
| Molecular Weight | 458.0412 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.0412 Da |
| Heavy Atoms | 28 |
| Complexity | 620.0 |
| SMILES | CCCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=C(C=C4)Br |
| InChIKey | COLQGQSCQAAUHV-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is 892624-14-5.
The molecular formula of 4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is C20H19BrN4O2S.
The molecular weight of 4-bromo-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzenesulfonamide is 458.0412 g/mol.
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