TL;DR: RefChem:565942 (CAS 16926-70-8) is a chemical compound with molecular formula C19H18N4O3 and molecular weight 350.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Also Known As: Benzoic acid, ethyl ester, ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate, AE-641/00557059, Benzoic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-, ethyl ester, p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acid ethyl ester
| Molecular Formula | C19H18N4O3 |
| Molecular Weight | 350.13788 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.13788 Da |
| Heavy Atoms | 26 |
| Complexity | 575.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C |
| InChIKey | JBMWOJWZSMCBJJ-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that RefChem:565942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:565942. Following Lipinski's Rule of Five, RefChem:565942 has 0 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 RefChem:565942 is 16926-70-8.
The molecular formula of RefChem:565942 is C19H18N4O3.
The molecular weight of RefChem:565942 is 350.13788 g/mol.
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