TL;DR: (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate (CAS 1100100-98-8) is a chemical compound with molecular formula C25H20ClNO6S and molecular weight 497.06998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
Also Known As: (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl {[(4-methylphenyl)sulfonyl]amino}(phenyl)acetate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)-2-phenylacetate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-[(4-methylbenzene)sulfonamido]-2-phenylacetate, Phenyl-(toluene-4-sulfonylamino)-acetic acid 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl ester
| Molecular Formula | C25H20ClNO6S |
| Molecular Weight | 497.06998 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.06998 Da |
| Heavy Atoms | 34 |
| Complexity | 899.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=C(C(=O)O4)Cl)C |
| InChIKey | AQSKVIRVFYQTHJ-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate. Following Lipinski's Rule of Five, (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is 1100100-98-8.
The molecular formula of (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is C25H20ClNO6S.
The molecular weight of (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is 497.06998 g/mol.
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