TL;DR: 3-(TERT-BUTYL)-6-((((5-CHLORO-2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1-METHYLINDENO[2,3-D]PYRAZOL-4-ONE (CAS 1024523-19-0) is a chemical compound with molecular formula C23H23ClN4O2S and molecular weight 454.12302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-tert-butyl-1-methyl-4-oxoindeno[2,1-d]pyrazol-6-yl)-3-(5-chloro-2-methoxyphenyl)thiourea
Also Known As: 3-(TERT-BUTYL)-6-((((5-CHLORO-2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1-METHYLINDENO[2,3-D]PYRAZOL-4-ONE, 1-(3-tert-butyl-1-methyl-4-oxoindeno[1,2-c]pyrazol-6-yl)-3-(5-chloro-2-methoxyphenyl)thiourea, 1-(3-tert-butyl-1-methyl-4-oxo-indeno[1,2-c]pyrazol-6-yl)-3-(5-chloro-2-methoxy-phenyl)thiourea, 3-{3-tert-butyl-1-methyl-4-oxo-1H,4H-indeno[1,2-c]pyrazol-6-yl}-1-(5-chloro-2-methoxyphenyl)thiourea, C23H23ClN4O2S
| Molecular Formula | C23H23ClN4O2S |
| Molecular Weight | 454.12302 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.12302 Da |
| Heavy Atoms | 31 |
| Complexity | 702.0 |
| SMILES | CC(C)(C)C1=NN(C2=C1C(=O)C3=C2C=CC(=C3)NC(=S)NC4=C(C=CC(=C4)Cl)OC)C |
| InChIKey | NSLOOZGRASBLOK-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 3-(TERT-BUTYL)-6-((((5-CHLORO-2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1-METHYLINDENO[2,3-D]PYRAZOL-4-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(TERT-BUTYL)-6-((((5-CHLORO-2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1-METHYLINDENO[2,3-D]PYRAZOL-4-ONE. Following Lipinski's Rule of Five, 3-(TERT-BUTYL)-6-((((5-CHLORO-2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1-METHYLINDENO[2,3-D]PYRAZOL-4-ONE has 2 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 3-(TERT-BUTYL)-6-((((5-CHLORO-2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1-METHYLINDENO[2,3-D]PYRAZOL-4-ONE is 1024523-19-0.
The molecular formula of 3-(TERT-BUTYL)-6-((((5-CHLORO-2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1-METHYLINDENO[2,3-D]PYRAZOL-4-ONE is C23H23ClN4O2S.
The molecular weight of 3-(TERT-BUTYL)-6-((((5-CHLORO-2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1-METHYLINDENO[2,3-D]PYRAZOL-4-ONE is 454.12302 g/mol.
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