TL;DR: 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate (CAS 1173684-78-0) is a chemical compound with molecular formula C28H26ClNO6S and molecular weight 539.11694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-2-oxo-4-phenylchromen-7-yl) (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
Also Known As: EiM07-19919, 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate, (6-chloro-2-oxo-4-phenylchromen-7-yl) (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
| Molecular Formula | C28H26ClNO6S |
| Molecular Weight | 539.11694 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 539.11694 Da |
| Heavy Atoms | 37 |
| Complexity | 946.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl |
| InChIKey | SGCCKNCUNYKERW-DEOSSOPVSA-N |
The XLogP value of 6.2 indicates that 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate 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 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate. Following Lipinski's Rule of Five, 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate is 1173684-78-0.
The molecular formula of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate is C28H26ClNO6S.
The molecular weight of 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-leucinate is 539.11694 g/mol.
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