TL;DR: 1-butyl-2-[(5-methyl-2-furyl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile (CAS 478032-88-1) is a chemical compound with molecular formula C27H25N3O and molecular weight 407.19977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-2-[(5-methylfuran-2-yl)methylideneamino]-4,5-diphenylpyrrole-3-carbonitrile
Also Known As: 1-butyl-2-[(5-methyl-2-furyl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile, 1-butyl-2-[(5-methylfuran-2-yl)methylideneamino]-4,5-diphenylpyrrole-3-carbonitrile, 1-butyl-2-[(E)-[(5-methylfuran-2-yl)methylidene]amino]-4,5-diphenyl-1H-pyrrole-3-carbonitrile, 1-butyl-2-{[(E)-(5-methyl-2-furyl)methylidene]amino}-4,5-diphenyl-1H-pyrrole-3-carbonitrile
| Molecular Formula | C27H25N3O |
| Molecular Weight | 407.19977 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 54.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.19977 Da |
| Heavy Atoms | 31 |
| Complexity | 628.0 |
| SMILES | CCCCN1C(=C(C(=C1N=CC2=CC=C(O2)C)C#N)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | PSTKUCLYAYOMPR-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 1-butyl-2-[(5-methyl-2-furyl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.2 Ų, 1-butyl-2-[(5-methyl-2-furyl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-2-[(5-methyl-2-furyl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-butyl-2-[(5-methyl-2-furyl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile is 478032-88-1.
The molecular formula of 1-butyl-2-[(5-methyl-2-furyl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile is C27H25N3O.
The molecular weight of 1-butyl-2-[(5-methyl-2-furyl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile is 407.19977 g/mol.
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