TL;DR: CTK4A5040 (CAS 107176-89-6) is a chemical compound with molecular formula C29H33N3O10S and molecular weight 615.18866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(but-2-enedioic acid);2-(3-morpholin-4-ylpropylamino)-1-phenothiazin-10-ylethanone
Also Known As: 10-(N-(3-Morpholinopropyl)glycyl)phenothiazine dimaleate, Phenothiazine, 10-(N-(3-morpholinopropyl)glycyl)-, dimaleate, 10-(N-(3-MORPHOLINOPROPYL)GLYCYL)PHENOTHIAZINE, DIMALEATE
| Molecular Formula | C29H33N3O10S |
| Molecular Weight | 615.18866 g/mol |
| XLogP | 2.5514 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 615.18866 Da |
| Heavy Atoms | 43 |
| Complexity | 583.0 |
| SMILES | C1COCCN1CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
| InChIKey | INPKFDPQZRHAMJ-UHFFFAOYSA-N |
The XLogP value of 2.5514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4A5040. The TPSA of 219.0 Ų indicates high polarity, suggesting CTK4A5040 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4A5040 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CTK4A5040 is 107176-89-6.
The molecular formula of CTK4A5040 is C29H33N3O10S.
The molecular weight of CTK4A5040 is 615.18866 g/mol.
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