TL;DR: PP 37 (CAS 149997-03-5) is a chemical compound with molecular formula C21H31N3O8 and molecular weight 453.21112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,2-dimethyldiazinan-4-yl)-N-phenylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: PP 37, Propanamide, N-(hexahydro-1,2-dimethyl-4-pyridazinyl)-N-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--N-(1,2-dimethyl-1,2-diazinan-4-yl)-N-phenylpropanamide (1/1), N-(1,2-dimethyldiazinan-4-yl)-N-phenyl-propanamide; 2-hydroxypropane-1,2,3-tricarboxylic Acid, N-(1,2-dimethyldiazinan-4-yl)-N-phenylpropanamide,2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C21H31N3O8 |
| Molecular Weight | 453.21112 g/mol |
| XLogP | 0.732 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.21112 Da |
| Heavy Atoms | 32 |
| Complexity | 529.0 |
| SMILES | CCC(=O)N(C1CCN(N(C1)C)C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | ZOWLSMHECFPKAZ-UHFFFAOYSA-N |
The XLogP value of 0.732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PP 37. The TPSA of 159.0 Ų indicates high polarity, suggesting PP 37 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PP 37 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of PP 37 is 149997-03-5.
The molecular formula of PP 37 is C21H31N3O8.
The molecular weight of PP 37 is 453.21112 g/mol.
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