TL;DR: (DHPS) (CAS 167425-64-1) is a chemical compound with molecular formula C20H21N7O3S and molecular weight 439.14267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]sulfonyl-3-phenylurea
Also Known As: (DHPS), 1-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]sulfonyl-3-phenylurea, Benzenesulfonamide, 4-((amino((4,6-dimethyl-2-pyrimidinyl)amino)methylene)amino)-N-((phenylamino)carbonyl)-
| Molecular Formula | C20H21N7O3S |
| Molecular Weight | 439.14267 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.14267 Da |
| Heavy Atoms | 31 |
| Complexity | 716.0 |
| SMILES | CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3=CC=CC=C3)C |
| InChIKey | MWZMHLBLVDPOJE-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (DHPS). The TPSA of 160.0 Ų indicates high polarity, suggesting (DHPS) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (DHPS) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (DHPS) is 167425-64-1.
The molecular formula of (DHPS) is C20H21N7O3S.
The molecular weight of (DHPS) is 439.14267 g/mol.
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