TL;DR: BAS 11409592 (CAS 1020373-69-6) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate
Also Known As: BAS 11409592, AQ-149/43100460, methyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate, methyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate, methyl 3,6-dihydroxy-6-methyl-4-phenyl-2H-4,5,6,7-tetrahydroindazole-5-carboxy late
| Molecular Formula | C16H18N2O4 |
| Molecular Weight | 302.12665 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.12665 Da |
| Heavy Atoms | 22 |
| Complexity | 524.0 |
| SMILES | CC1(CC2=C(C(C1C(=O)OC)C3=CC=CC=C3)C(=O)NN2)O |
| InChIKey | VZHOLBOAQIAJJD-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11409592. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11409592. Following Lipinski's Rule of Five, BAS 11409592 has 3 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 BAS 11409592 is 1020373-69-6.
The molecular formula of BAS 11409592 is C16H18N2O4.
The molecular weight of BAS 11409592 is 302.12665 g/mol.
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