TL;DR: 2-Oxo-2-[4-(phenyldiazenyl)anilino]ethyl 3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}butanoate (CAS 1487257-90-8) is a chemical compound with molecular formula C25H26N4O6S and molecular weight 510.15732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate
Also Known As: 2-Oxo-2-[4-(phenyldiazenyl)anilino]ethyl 3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}butanoate, (4-phenyldiazenylphenyl)carbamoylmethyl 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate, [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate
| Molecular Formula | C25H26N4O6S |
| Molecular Weight | 510.15732 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 510.15732 Da |
| Heavy Atoms | 36 |
| Complexity | 839.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)O)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 |
| InChIKey | VIQREZGORXMXTH-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-Oxo-2-[4-(phenyldiazenyl)anilino]ethyl 3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 2-Oxo-2-[4-(phenyldiazenyl)anilino]ethyl 3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}butanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Oxo-2-[4-(phenyldiazenyl)anilino]ethyl 3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}butanoate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Oxo-2-[4-(phenyldiazenyl)anilino]ethyl 3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}butanoate is 1487257-90-8.
The molecular formula of 2-Oxo-2-[4-(phenyldiazenyl)anilino]ethyl 3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}butanoate is C25H26N4O6S.
The molecular weight of 2-Oxo-2-[4-(phenyldiazenyl)anilino]ethyl 3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}butanoate is 510.15732 g/mol.
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