TL;DR: 1-((3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYL)-3-(4-METHOXYPHENYL)INDENO[2,3-D]PYRAZOL-4-ONE (CAS 1024221-82-6) is a chemical compound with molecular formula C28H17Cl2N3O4 and molecular weight 529.05963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3-(4-methoxyphenyl)indeno[2,1-d]pyrazol-4-one
Also Known As: 1-((3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYL)-3-(4-METHOXYPHENYL)INDENO[2,3-D]PYRAZOL-4-ONE, 1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3-(4-methoxyphenyl)indeno[1,2-c]pyrazol-4-one, 1-[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]-3-(4-methoxyphenyl)indeno[1,2-c]pyrazol-4-one, C28H17Cl2N3O4
| Molecular Formula | C28H17Cl2N3O4 |
| Molecular Weight | 529.05963 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.05963 Da |
| Heavy Atoms | 37 |
| Complexity | 860.0 |
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3C4=C(C(=N3)C5=CC=C(C=C5)OC)C(=O)C6=CC=CC=C64 |
| InChIKey | GJIDKRHIQHUGPH-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 1-((3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYL)-3-(4-METHOXYPHENYL)INDENO[2,3-D]PYRAZOL-4-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYL)-3-(4-METHOXYPHENYL)INDENO[2,3-D]PYRAZOL-4-ONE. Following Lipinski's Rule of Five, 1-((3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYL)-3-(4-METHOXYPHENYL)INDENO[2,3-D]PYRAZOL-4-ONE has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-((3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYL)-3-(4-METHOXYPHENYL)INDENO[2,3-D]PYRAZOL-4-ONE is 1024221-82-6.
The molecular formula of 1-((3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYL)-3-(4-METHOXYPHENYL)INDENO[2,3-D]PYRAZOL-4-ONE is C28H17Cl2N3O4.
The molecular weight of 1-((3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYL)-3-(4-METHOXYPHENYL)INDENO[2,3-D]PYRAZOL-4-ONE is 529.05963 g/mol.
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