TL;DR: Benzene, 1,1'-(2-nitrobutylidene)bis(4-methoxy- (CAS 85078-20-2) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-4-[1-(4-methoxyphenyl)-2-nitrobutyl]benzene
Also Known As: KST-1B9181, 1,1'-(2-nitrobutane-1,1-diyl)bis(4-methoxybenzene), 1,1-DI(P-MEO PHENYL)-2-NITROBUTANE, 1-methoxy-4-[1-(4-methoxyphenyl)-2-nitrobutyl]benzene, Benzene, 1,1'-(2-nitrobutylidene)bis(4-methoxy-
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.14706 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.14706 Da |
| Heavy Atoms | 23 |
| Complexity | 331.0 |
| SMILES | CCC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)[N+](=O)[O-] |
| InChIKey | GKZZKRSVMNROBJ-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Benzene, 1,1'-(2-nitrobutylidene)bis(4-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,1'-(2-nitrobutylidene)bis(4-methoxy-. Following Lipinski's Rule of Five, Benzene, 1,1'-(2-nitrobutylidene)bis(4-methoxy- 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 Benzene, 1,1'-(2-nitrobutylidene)bis(4-methoxy- is 85078-20-2.
The molecular formula of Benzene, 1,1'-(2-nitrobutylidene)bis(4-methoxy- is C18H21NO4.
The molecular weight of Benzene, 1,1'-(2-nitrobutylidene)bis(4-methoxy- is 315.14706 g/mol.
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