TL;DR: [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate (CAS 1212212-29-7) is a chemical compound with molecular formula C29H24N4O5 and molecular weight 508.17468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate
Also Known As: [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate|4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl 1-methyl-1H-pyrazole-5-carboxylate|4-[5-(2-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl 1-methyl-1H-pyrazole-5-carboxylate|STL346676
| Molecular Formula | C29H24N4O5 |
| Molecular Weight | 508.17468 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.17468 Da |
| Heavy Atoms | 38 |
| Complexity | 901.0 |
| SMILES | CC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(=O)C6=CC=NN6C |
| InChIKey | MEHWUOBAAVYLLW-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate. Following Lipinski's Rule of Five, [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate is 1212212-29-7.
The molecular formula of [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate is C29H24N4O5.
The molecular weight of [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate is 508.17468 g/mol.
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