TL;DR: 4,7-Phenanthroline, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, maleate, cis- (CAS 101225-49-4) is a chemical compound with molecular formula C19H26N2O4 and molecular weight 346.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aR,10bS)-4-propan-2-yl-2,3,4a,5,6,10b-hexahydro-1H-4,7-phenanthroline;(E)-but-2-enedioic acid
Also Known As: cis-4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-4,7-phenanthroline maleate, 4,7-Phenanthroline, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, maleate, cis-, (4aR,10bS)-4-propan-2-yl-2,3,4a,5,6,10b-hexahydro-1H-4,7-phenanthroline, (4aR,10bS)-4-propan-2-yl-2,3,4a,5,6,10b-hexahydro-1H-4,7-phenanthroline,(E)-but-2-enedioic acid, (4aR,10bS)-4-propan-2-yl-2,3,4a,5,6,10b-hexahydro-1H-4,7-phenanthroline; (E)-but-2-enedioic acid
| Molecular Formula | C19H26N2O4 |
| Molecular Weight | 346.18927 g/mol |
| XLogP | 2.696 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.18927 Da |
| Heavy Atoms | 25 |
| Complexity | 383.0 |
| SMILES | CC(C)N1CCC[C@@H]2[C@H]1CCC3=C2C=CC=N3.C(=C/C(=O)O)\C(=O)O |
| InChIKey | PRAPOKZALLMISQ-HFRANPBYSA-N |
The XLogP value of 2.696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Phenanthroline, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, maleate, cis-. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Phenanthroline, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, maleate, cis-. Following Lipinski's Rule of Five, 4,7-Phenanthroline, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, maleate, cis- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,7-Phenanthroline, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, maleate, cis- is 101225-49-4.
The molecular formula of 4,7-Phenanthroline, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, maleate, cis- is C19H26N2O4.
The molecular weight of 4,7-Phenanthroline, 1,2,3,4,4a,5,6,10b-octahydro-4-propyl-, maleate, cis- is 346.18927 g/mol.
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