TL;DR: [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate (CAS 1009163-00-1) is a chemical compound with molecular formula C32H27NO7S and molecular weight 569.1508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
Also Known As: [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
| Molecular Formula | C32H27NO7S |
| Molecular Weight | 569.1508 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 569.1508 Da |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)C(=O)OC3=C(C4=C(C=C3)C(=CC(=O)O4)C5=CC=C(C=C5)OC)C |
| InChIKey | ABIOTOUATCNNIM-SSEXGKCCSA-N |
The XLogP value of 5.9 indicates that [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate. Following Lipinski's Rule of Five, [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is 1009163-00-1.
The molecular formula of [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is C32H27NO7S.
The molecular weight of [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is 569.1508 g/mol.
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