TL;DR: Bis-(3-nitrophenyl)-methylphosphine oxide (CAS 31638-90-1) is a chemical compound with molecular formula C13H11N2O5P and molecular weight 306.04056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[methyl-(3-nitrophenyl)phosphoryl]-3-nitrobenzene
Also Known As: BIS-(3-NITROPHENYL)-METHYLPHOSPHINE OXIDE, methyl[bis(3-nitrophenyl)]phosphane oxide, 1-[methyl(3-nitrophenyl)phosphoroso]-3-nitrobenzene, 1-[methyl-(3-nitrophenyl)phosphoryl]-3-nitro-benzene, 1-[methyl-(3-nitrophenyl)phosphoryl]-3-nitrobenzene
| Molecular Formula | C13H11N2O5P |
| Molecular Weight | 306.04056 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.04056 Da |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
| SMILES | CP(=O)(C1=CC=CC(=C1)[N+](=O)[O-])C2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | WCWJDBLSRZWRFC-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis-(3-nitrophenyl)-methylphosphine oxide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis-(3-nitrophenyl)-methylphosphine oxide. Following Lipinski's Rule of Five, Bis-(3-nitrophenyl)-methylphosphine oxide 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 Bis-(3-nitrophenyl)-methylphosphine oxide is 31638-90-1.
The molecular formula of Bis-(3-nitrophenyl)-methylphosphine oxide is C13H11N2O5P.
The molecular weight of Bis-(3-nitrophenyl)-methylphosphine oxide is 306.04056 g/mol.
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