TL;DR: L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)- (CAS 64398-42-1) is a chemical compound with molecular formula C16H16ClNO7 and molecular weight 369.06152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid
Also Known As: L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid, L-Glutamic acid, N-[(5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]-L-glutamic acid, N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]glutamic acid
| Molecular Formula | C16H16ClNO7 |
| Molecular Weight | 369.06152 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.06152 Da |
| Heavy Atoms | 25 |
| Complexity | 567.0 |
| SMILES | CC1CC2=C(C=C(C=C2Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O1 |
| InChIKey | JXSXQXIRGPDHOV-LRUBCLLZSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-. Following Lipinski's Rule of Five, L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)- is 64398-42-1.
The molecular formula of L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)- is C16H16ClNO7.
The molecular weight of L-Glutamic acid, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)- is 369.06152 g/mol.
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