TL;DR: Ethyl 5-benzyl-1,3-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate (CAS 150582-34-6) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-benzyl-1,3-dimethyl-4-oxopyrrolo[2,3-d]pyridazine-2-carboxylate
Also Known As: Ethyl 5-benzyl-1,3-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate, ethyl 5-benzyl-1,3-dimethyl-4-oxopyrrolo[2,3-d]pyridazine-2-carboxylate, ethyl 5-benzyl-1,3-dimethyl-4-oxo-1H,4H,5H-pyrrolo[2,3-d]pyridazine-2-carboxylate, 4,5-Dihydro-4-oxo-1,3-dimethyl-5-benzyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid ethyl ester, Ethyl 3-benzyl-7,9-dimethyl-2-oxo-3,4,7-triazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
| Molecular Formula | C18H19N3O3 |
| Molecular Weight | 325.14264 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.14264 Da |
| Heavy Atoms | 24 |
| Complexity | 516.0 |
| SMILES | CCOC(=O)C1=C(C2=C(N1C)C=NN(C2=O)CC3=CC=CC=C3)C |
| InChIKey | CODABUDKGQUXDP-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-benzyl-1,3-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-benzyl-1,3-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-benzyl-1,3-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate has 0 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 Ethyl 5-benzyl-1,3-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate is 150582-34-6.
The molecular formula of Ethyl 5-benzyl-1,3-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate is C18H19N3O3.
The molecular weight of Ethyl 5-benzyl-1,3-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate is 325.14264 g/mol.
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