TL;DR: Tyrphostin 51 (CAS 122520-90-5) is a chemical compound with molecular formula C13H8N4O3 and molecular weight 268.05963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-2-amino-4-(3,4,5-trihydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: tyrphostin 51, Tyrphostin A51, Tyrphostina51, Tyrphostin A 51, Tyrphostin AG 183
| Molecular Formula | C13H8N4O3 |
| Molecular Weight | 268.05963 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.05963 Da |
| Heavy Atoms | 20 |
| Complexity | 565.0 |
| SMILES | C1=C(C=C(C(=C1O)O)O)/C=C(\C#N)/C(=C(C#N)C#N)N |
| InChIKey | JKNOYWVMHPMBEL-UNXLUWIOSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tyrphostin 51. The TPSA of 158.0 Ų indicates high polarity, suggesting Tyrphostin 51 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tyrphostin 51 has 4 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 Tyrphostin 51 is 122520-90-5.
The molecular formula of Tyrphostin 51 is C13H8N4O3.
The molecular weight of Tyrphostin 51 is 268.05963 g/mol.
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