TL;DR: CID 60653 (CAS 115956-13-3) is a chemical compound with molecular formula C20H24N2O6S and molecular weight 420.1355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methanesulfonic acid;[(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
Also Known As: Anzemet, DOLASETRON MESYLATE, Dolasetron mesylate [USAN], Dolasetron mesylate [USAN:USP], MDL 73147EF
| Molecular Formula | C20H24N2O6S |
| Molecular Weight | 420.1355 g/mol |
| XLogP | 2.02 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.1355 Da |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
| SMILES | CS(=O)(=O)O.C1[C@@H]2CC(CC3N2CC(=O)C1C3)OC(=O)C4=CNC5=CC=CC=C54 |
| InChIKey | PSGRLCOSIXJUAL-VPUTYDRXSA-N |
The XLogP value of 2.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 60653. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 60653. Following Lipinski's Rule of Five, CID 60653 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CID 60653 is 115956-13-3.
The molecular formula of CID 60653 is C20H24N2O6S.
The molecular weight of CID 60653 is 420.1355 g/mol.
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