TL;DR: 2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 1313510-65-4) is a chemical compound with molecular formula C25H24N2O and molecular weight 368.18887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8E)-2-amino-4-(2-methylphenyl)-8-[(2-methylphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
Also Known As: 2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, (8E)-2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, (8E)-2-amino-4-(2-methylphenyl)-8-[(2-methylphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile, (8E)-2-AMINO-4-(2-METHYLPHENYL)-8-[(2-METHYLPHENYL)METHYLIDENE]-5,6,7,8-TETRAHYDRO-4H-CHROMENE-3-CARBONITRILE
| Molecular Formula | C25H24N2O |
| Molecular Weight | 368.18887 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.18887 Da |
| Heavy Atoms | 28 |
| Complexity | 750.0 |
| SMILES | CC1=CC=CC=C1/C=C/2\CCCC3=C2OC(=C(C3C4=CC=CC=C4C)C#N)N |
| InChIKey | LRFWUPDHXGDEFZ-XMHGGMMESA-N |
The XLogP value of 5.2 indicates that 2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 1313510-65-4.
The molecular formula of 2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C25H24N2O.
The molecular weight of 2-amino-8-(2-methylbenzylidene)-4-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 368.18887 g/mol.
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