TL;DR: (8E)-2-AMINO-4-PHENYL-8-(PHENYLMETHYLIDENE)-6-(PROPAN-2-YL)-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE (CAS 152087-81-5) is a chemical compound with molecular formula C25H25N3O and molecular weight 383.19977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8E)-2-amino-8-benzylidene-4-phenyl-6-propan-2-yl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Also Known As: (8E)-2-AMINO-4-PHENYL-8-(PHENYLMETHYLIDENE)-6-(PROPAN-2-YL)-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE, (8E)-2-amino-8-benzylidene-4-phenyl-6-(propan-2-yl)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, (8E)-2-amino-8-benzylidene-4-phenyl-6-propan-2-yl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, (E)-2-amino-8-benzylidene-6-isopropyl-4-phenyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-8-benzylidene-6-isopropyl-4-phenyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
| Molecular Formula | C25H25N3O |
| Molecular Weight | 383.19977 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.19977 Da |
| Heavy Atoms | 29 |
| Complexity | 754.0 |
| SMILES | CC(C)N1C/C(=C\C2=CC=CC=C2)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CC=C4 |
| InChIKey | SBECLKASQBLMNB-DEDYPNTBSA-N |
The XLogP value of 3.8 indicates that (8E)-2-AMINO-4-PHENYL-8-(PHENYLMETHYLIDENE)-6-(PROPAN-2-YL)-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (8E)-2-AMINO-4-PHENYL-8-(PHENYLMETHYLIDENE)-6-(PROPAN-2-YL)-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE. Following Lipinski's Rule of Five, (8E)-2-AMINO-4-PHENYL-8-(PHENYLMETHYLIDENE)-6-(PROPAN-2-YL)-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE 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 (8E)-2-AMINO-4-PHENYL-8-(PHENYLMETHYLIDENE)-6-(PROPAN-2-YL)-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE is 152087-81-5.
The molecular formula of (8E)-2-AMINO-4-PHENYL-8-(PHENYLMETHYLIDENE)-6-(PROPAN-2-YL)-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE is C25H25N3O.
The molecular weight of (8E)-2-AMINO-4-PHENYL-8-(PHENYLMETHYLIDENE)-6-(PROPAN-2-YL)-4H,5H,6H,7H,8H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE is 383.19977 g/mol.
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