TL;DR: N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide (CAS 112022-08-9) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(dimethylamino)ethyl]-9-oxoxanthene-4-carboxamide
Also Known As: N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide, NCI60_005375, 9H-Xanthene-4-carboxamide, N-(2-(dimethylamino)ethyl)-9-oxo-, J1.706.596C, N-[2-(DIMETHYLAMINO)ETHYL]-9-OXO-9H-XANTHENE-4-CARBOXAMIDE
| Molecular Formula | C18H18N2O3 |
| Molecular Weight | 310.13174 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.13174 Da |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
| SMILES | CN(C)CCNC(=O)C1=CC=CC2=C1OC3=CC=CC=C3C2=O |
| InChIKey | KWGUFXPJIMNUFB-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide. With a topological polar surface area (TPSA) of 58.6 Ų, N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide has 1 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 N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide is 112022-08-9.
The molecular formula of N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide is C18H18N2O3.
The molecular weight of N-(2-(Dimethylamino)ethyl)-9-oxo-9H-xanthene-4-carboxamide is 310.13174 g/mol.
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