TL;DR: (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one (CAS 1195763-37-1) is a chemical compound with molecular formula C37H34N4OS2 and molecular weight 614.2174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one
Also Known As: (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one
| Molecular Formula | C37H34N4OS2 |
| Molecular Weight | 614.2174 g/mol |
| XLogP | 9.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 614.2174 Da |
| Heavy Atoms | 44 |
| Complexity | 974.0 |
| SMILES | CCCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)C)C6=CC=CC=C6 |
| InChIKey | WOGCMLOTXNNQRD-BCJTWVECSA-N |
The XLogP value of 9.4 indicates that (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one. Following Lipinski's Rule of Five, (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one is 1195763-37-1.
The molecular formula of (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one is C37H34N4OS2.
The molecular weight of (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one is 614.2174 g/mol.
You can request a quote for (4Z)-4-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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