TL;DR: Tyrphostin 9 (CAS 10537-47-0) is a chemical compound with molecular formula C18H22N2O and molecular weight 282.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
Also Known As: Malonoben, tyrphostin A9, Tyrphostin 9, Malonaben, Malonoben [ANSI]
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H22N2O |
| Molecular Weight | 282.17322 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.17322 Da |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
| Melting Point | 141 - 143 °C |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N |
| InChIKey | MZOPWQKISXCCTP-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that Tyrphostin 9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tyrphostin 9. Following Lipinski's Rule of Five, Tyrphostin 9 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Tyrphostin 9 is 10537-47-0.
The molecular formula of Tyrphostin 9 is C18H22N2O.
The molecular weight of Tyrphostin 9 is 282.17322 g/mol.
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