TL;DR: [4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium (CAS 143193-48-0) is a chemical compound with molecular formula C25H32ClN4O4S+ and molecular weight 519.1833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-chloro-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium
Also Known As: [4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium
| Molecular Formula | C25H32ClN4O4S+ |
| Molecular Weight | 519.1833 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.1833 Da |
| Heavy Atoms | 35 |
| Complexity | 910.0 |
| SMILES | CC[N+](CC)(CC)OS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/C(=N2)C |
| InChIKey | SENUQTCFTYTHPM-JWGURIENSA-N |
The XLogP value of 4.8 indicates that [4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium. Following Lipinski's Rule of Five, [4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium is 143193-48-0.
The molecular formula of [4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium is C25H32ClN4O4S+.
The molecular weight of [4-chloro-3-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]sulfonyloxy-triethylazanium is 519.1833 g/mol.
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