TL;DR: 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl- (CAS 101986-20-3) is a chemical compound with molecular formula C20H18N2O3 and molecular weight 334.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-hydroxy-4-methoxyphenyl)-4-phenyl-2,3a,4,5-tetrahydroindazol-3-one
Also Known As: 2,3a,4,5-Tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl-3H-indazol-3-one, 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl-, (6E)-6-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,3a,4,5-tetrahydro-1H-indazol-3-one, BRN 5616156
| Molecular Formula | C20H18N2O3 |
| Molecular Weight | 334.13174 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.13174 Da |
| Heavy Atoms | 25 |
| Complexity | 579.0 |
| SMILES | COC1=CC(=C(C=C1)C2=CC3=NNC(=O)C3C(C2)C4=CC=CC=C4)O |
| InChIKey | WRLWYNMVWMKELV-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl-. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl-. Following Lipinski's Rule of Five, 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl- 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 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl- is 101986-20-3.
The molecular formula of 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl- is C20H18N2O3.
The molecular weight of 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-phenyl- is 334.13174 g/mol.
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