TL;DR: 4-bromo-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide (CAS 1020452-53-2) is a chemical compound with molecular formula C18H13BrClN3O2S and molecular weight 448.96005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: 4-bromo-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, F0561-0400, 4-bromo-N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 4-bromo-N-[2-(3-chlorophenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C18H13BrClN3O2S |
| Molecular Weight | 448.96005 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.96005 Da |
| Heavy Atoms | 26 |
| Complexity | 561.0 |
| SMILES | C1C2=C(N(N=C2CS1=O)C3=CC(=CC=C3)Cl)NC(=O)C4=CC=C(C=C4)Br |
| InChIKey | ZOQADPCFQXRGPY-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 4-bromo-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide. Following Lipinski's Rule of Five, 4-bromo-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-bromo-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is 1020452-53-2.
The molecular formula of 4-bromo-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is C18H13BrClN3O2S.
The molecular weight of 4-bromo-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is 448.96005 g/mol.
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