TL;DR: 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-(dimethylamino)phenyl)-5-oxo-1-phenyl-4-(phenylamino)- (CAS 148930-21-6) is a chemical compound with molecular formula C26H25N3O3 and molecular weight 427.1896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-anilino-2-[4-(dimethylamino)phenyl]-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Also Known As: 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-(dimethylamino)phenyl)-5-oxo-1-phenyl-4-(phenylamino)-, 1H-Pyrrole-3-aceticacid, 2-[4-(dimethylamino)phenyl]-2,5-dihydro-5-oxo-1-phenyl-4-(phenylamino)-, [1-Phenyl-2-[4-(dimethylamino)phenyl]-4-anilino-5-oxo-3-pyrrolin-3-yl]acetic acid, 2-[4-anilino-2-(4-dimethylaminophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid, 2-[4-anilino-2-[4-(dimethylamino)phenyl]-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
| Molecular Formula | C26H25N3O3 |
| Molecular Weight | 427.1896 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1896 Da |
| Heavy Atoms | 32 |
| Complexity | 699.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4)CC(=O)O |
| InChIKey | DMRFAMITDZCWLH-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-(dimethylamino)phenyl)-5-oxo-1-phenyl-4-(phenylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-(dimethylamino)phenyl)-5-oxo-1-phenyl-4-(phenylamino)-. Following Lipinski's Rule of Five, 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-(dimethylamino)phenyl)-5-oxo-1-phenyl-4-(phenylamino)- has 2 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 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-(dimethylamino)phenyl)-5-oxo-1-phenyl-4-(phenylamino)- is 148930-21-6.
The molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-(dimethylamino)phenyl)-5-oxo-1-phenyl-4-(phenylamino)- is C26H25N3O3.
The molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-(dimethylamino)phenyl)-5-oxo-1-phenyl-4-(phenylamino)- is 427.1896 g/mol.
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