TL;DR: Sepimostat (CAS 103926-64-3) is a chemical compound with molecular formula C21H19N5O2 and molecular weight 373.15387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate
Also Known As: Sepimostat, Sepimostat [INN], sepimostatum, Sepinostat, Sepimostat mesylate
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H19N5O2 |
| Molecular Weight | 373.15387 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.15387 Da |
| Heavy Atoms | 28 |
| Complexity | 614.0 |
| SMILES | C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N |
| InChIKey | QMRJOIUGPCVZPH-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sepimostat. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sepimostat. Following Lipinski's Rule of Five, Sepimostat has 4 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 Sepimostat is 103926-64-3.
The molecular formula of Sepimostat is C21H19N5O2.
The molecular weight of Sepimostat is 373.15387 g/mol.
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