TL;DR: N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide (CAS 487031-17-4) is a chemical compound with molecular formula C29H28N4O3S and molecular weight 512.18823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide
Also Known As: N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide, N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-(naphthalen-2-ylamino)phthalazin-1-yl)benzenesulfonamide
| Molecular Formula | C29H28N4O3S |
| Molecular Weight | 512.18823 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.18823 Da |
| Heavy Atoms | 37 |
| Complexity | 862.0 |
| SMILES | CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=CC=CC=C5C=C4)S(=O)(=O)NC(C)(C)CO |
| InChIKey | AZPMVTHZZIBPBA-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide. Following Lipinski's Rule of Five, N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide is 487031-17-4.
The molecular formula of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide is C29H28N4O3S.
The molecular weight of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(naphthalen-2-ylamino)phthalazin-1-yl]benzenesulfonamide is 512.18823 g/mol.
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