TL;DR: Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel- (CAS 149850-30-6) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)-3-(4-nitrophenyl)oxirane
Also Known As: trans-4-Methoxy-4'-nitrostilbene oxide, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)oxirane, J3.214.085H, 2-(4-Nitrophenyl)-3-(4-methoxyphenyl)oxirane, Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel-
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.08447 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.08447 Da |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
| SMILES | COC1=CC=C(C=C1)C2C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CTPLJPLKYKCNAY-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel-. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel-. Following Lipinski's Rule of Five, Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel- is 149850-30-6.
The molecular formula of Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel- is C15H13NO4.
The molecular weight of Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel- is 271.08447 g/mol.
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