TL;DR: Monodansylcadaverine (CAS 10121-91-2) is a chemical compound with molecular formula C17H25N3O2S and molecular weight 335.16675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide
Also Known As: Dansylcadaverine, monodansylcadaverine, Monodansyl cadaverine, monodancylcadaverine, n-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H25N3O2S |
| Molecular Weight | 335.16675 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.16675 Da |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCN |
| InChIKey | MLEBFEHOJICQQS-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monodansylcadaverine. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Monodansylcadaverine. Following Lipinski's Rule of Five, Monodansylcadaverine 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 Monodansylcadaverine is 10121-91-2.
The molecular formula of Monodansylcadaverine is C17H25N3O2S.
The molecular weight of Monodansylcadaverine is 335.16675 g/mol.
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