TL;DR: AG 1288 (CAS 116313-73-6) is a chemical compound with molecular formula C10H5N3O4 and molecular weight 231.028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,4-dihydroxy-5-nitrophenyl)methylidene]propanedinitrile
Also Known As: TYRPHOSTIN AG 1288, Tyrphostin AG1288, AG 1288, UPCMLD-DP016:001, BiomolKI2_000027
| Molecular Formula | C10H5N3O4 |
| Molecular Weight | 231.028 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.028 Da |
| Heavy Atoms | 17 |
| Complexity | 417.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=C(C#N)C#N |
| InChIKey | KUXOYSZHUFZKHN-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AG 1288. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AG 1288. Following Lipinski's Rule of Five, AG 1288 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AG 1288 is 116313-73-6.
The molecular formula of AG 1288 is C10H5N3O4.
The molecular weight of AG 1288 is 231.028 g/mol.
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