TL;DR: 1,1'-Biphenyl, 2'-methoxy-2,4-dinitro- (CAS 106166-21-6) is a chemical compound with molecular formula C13H10N2O5 and molecular weight 274.05896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methoxyphenyl)-2,4-dinitrobenzene
Also Known As: 1,1'-Biphenyl, 2'-methoxy-2,4-dinitro-, 1-(2-methoxyphenyl)-2,4-dinitrobenzene, 2'-Methoxy-2,4-dinitro-1,1'-biphenyl, 1,1'-Biphenyl,2'-methoxy-2,4-dinitro, 2'-METHOXY-2,4-DINITRO-BIPHENYL
| Molecular Formula | C13H10N2O5 |
| Molecular Weight | 274.05896 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.05896 Da |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
| SMILES | COC1=CC=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QPACBGJIRNORGM-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1,1'-Biphenyl, 2'-methoxy-2,4-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Biphenyl, 2'-methoxy-2,4-dinitro-. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 2'-methoxy-2,4-dinitro- 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 1,1'-Biphenyl, 2'-methoxy-2,4-dinitro- is 106166-21-6.
The molecular formula of 1,1'-Biphenyl, 2'-methoxy-2,4-dinitro- is C13H10N2O5.
The molecular weight of 1,1'-Biphenyl, 2'-methoxy-2,4-dinitro- is 274.05896 g/mol.
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