TL;DR: Bumetanide (CAS 28395-03-1) is a chemical compound with molecular formula C17H20N2O5S and molecular weight 364.10928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid
Also Known As: bumetanide, Bumex, Burinex, Fordiuran, Lunetoron
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H20N2O5S |
| Molecular Weight | 364.10928 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.10928 Da |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
| Melting Point | 230-231 |
| Solubility | >20 mg/mL (in base) |
| SMILES | CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 |
| InChIKey | MAEIEVLCKWDQJH-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bumetanide. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bumetanide. Following Lipinski's Rule of Five, Bumetanide has 3 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 Bumetanide is 28395-03-1.
The molecular formula of Bumetanide is C17H20N2O5S.
The molecular weight of Bumetanide is 364.10928 g/mol.
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