TL;DR: F0072-0409 (CAS 391219-99-1) is a chemical compound with molecular formula C26H32N6O6S2 and molecular weight 588.1825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-(4-methylphenyl)sulfonyl-1-pentylurea
Also Known As: F0072-0409, 1-[({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)amino]-N-(4-methylbenzenesulfonyl)-N-pentylformamide, 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-(4-methylphenyl)sulfonyl-1-pentylurea, N-(((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)carbamoyl)-4-methyl-N-pentylbenzenesulfonamide, (4,6-dimethyl-2-pyrimidinylamino)-p-{5-[oxido(oxo)-p-tolyl-lambda-sulfaniumyl]-5-pentylbiuretyl}phenyl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C26H32N6O6S2 |
| Molecular Weight | 588.1825 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 184.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 588.1825 Da |
| Heavy Atoms | 40 |
| Complexity | 1030.0 |
| SMILES | CCCCCN(C(=O)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | UOKBUUNZWVKYAG-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that F0072-0409 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting F0072-0409 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0072-0409 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of F0072-0409 is 391219-99-1.
The molecular formula of F0072-0409 is C26H32N6O6S2.
The molecular weight of F0072-0409 is 588.1825 g/mol.
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