TL;DR: Glycidyl 4-nitrobenzoate, (S)- (CAS 118712-60-0) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-oxiran-2-yl]methyl 4-nitrobenzoate
Also Known As: (S)-Glycidyl 4-nitrobenzoate, (2S)-(+)-Glycidyl 4-nitrobenzoate, (R)-Glycidyl 4-nitrobenzoate, Glycidyl 4-nitrobenzoate, (S)-, (S)-(+)-Glycidyl 4-nitrobenzoate
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H9NO5 |
| Molecular Weight | 223.04807 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04807 Da |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| SMILES | C1[C@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MUWIANZPEBMVHH-VIFPVBQESA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycidyl 4-nitrobenzoate, (S)-. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycidyl 4-nitrobenzoate, (S)-. Following Lipinski's Rule of Five, Glycidyl 4-nitrobenzoate, (S)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Glycidyl 4-nitrobenzoate, (S)- is 118712-60-0.
The molecular formula of Glycidyl 4-nitrobenzoate, (S)- is C10H9NO5.
The molecular weight of Glycidyl 4-nitrobenzoate, (S)- is 223.04807 g/mol.
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