TL;DR: 3-Amino-5-cyclopropyl-4'-methoxy[1,1'-biphenyl]-2,4-dicarbonitrile (CAS 152093-51-1) is a chemical compound with molecular formula C18H15N3O and molecular weight 289.12152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-cyclopropyl-6-(4-methoxyphenyl)benzene-1,3-dicarbonitrile
Also Known As: 3-amino-5-cyclopropyl-4'-methoxy[1,1'-biphenyl]-2,4-dicarbonitrile, 2-amino-4-cyclopropyl-6-(4-methoxyphenyl)benzene-1,3-dicarbonitrile
| Molecular Formula | C18H15N3O |
| Molecular Weight | 289.12152 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.12152 Da |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3CC3 |
| InChIKey | PRBXKDGZUYHJIK-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-Amino-5-cyclopropyl-4'-methoxy[1,1'-biphenyl]-2,4-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-cyclopropyl-4'-methoxy[1,1'-biphenyl]-2,4-dicarbonitrile. Following Lipinski's Rule of Five, 3-Amino-5-cyclopropyl-4'-methoxy[1,1'-biphenyl]-2,4-dicarbonitrile has 1 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 3-Amino-5-cyclopropyl-4'-methoxy[1,1'-biphenyl]-2,4-dicarbonitrile is 152093-51-1.
The molecular formula of 3-Amino-5-cyclopropyl-4'-methoxy[1,1'-biphenyl]-2,4-dicarbonitrile is C18H15N3O.
The molecular weight of 3-Amino-5-cyclopropyl-4'-methoxy[1,1'-biphenyl]-2,4-dicarbonitrile is 289.12152 g/mol.
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