TL;DR: 2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 160591-50-4) is a chemical compound with molecular formula C27H28N2O5 and molecular weight 460.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8Z)-2-amino-4-(2,4-dimethoxyphenyl)-8-[(2,4-dimethoxyphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
Also Known As: 2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, (8Z)-2-amino-4-(2,4-dimethoxyphenyl)-8-[(2,4-dimethoxyphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile, (8Z)-2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-AMINO-4-(2,4-DIMETHOXYPHENYL)-8-[(Z)-1-(2,4-DIMETHOXYPHENYL)METHYLIDENE]-6,7-DIHYDRO-4H-CHROMEN-3(5H)-YL CYANIDE
| Molecular Formula | C27H28N2O5 |
| Molecular Weight | 460.19983 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.19983 Da |
| Heavy Atoms | 34 |
| Complexity | 885.0 |
| SMILES | COC1=CC(=C(C=C1)/C=C\2/CCCC3=C2OC(=C(C3C4=C(C=C(C=C4)OC)OC)C#N)N)OC |
| InChIKey | FUUBNJNDENGICH-ATVHPVEESA-N |
The XLogP value of 4.3 indicates that 2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 160591-50-4.
The molecular formula of 2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C27H28N2O5.
The molecular weight of 2-amino-8-(2,4-dimethoxybenzylidene)-4-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 460.19983 g/mol.
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