TL;DR: Indirubin-3'-monoxime (CAS 160807-49-8) is a chemical compound with molecular formula C16H11N3O2 and molecular weight 277.0851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Also Known As: INDIRUBIN-3'-MONOXIME, indirubin-3'-oxime, Indirubin-3-monoxime, indirubin-3-oxime, Indirubin-3monoxime
| Molecular Formula | C16H11N3O2 |
| Molecular Weight | 277.0851 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 81.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.0851 Da |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O |
| InChIKey | FQCPPVRJPILDIK-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Indirubin-3'-monoxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Indirubin-3'-monoxime. Following Lipinski's Rule of Five, Indirubin-3'-monoxime has 3 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 Indirubin-3'-monoxime is 160807-49-8.
The molecular formula of Indirubin-3'-monoxime is C16H11N3O2.
The molecular weight of Indirubin-3'-monoxime is 277.0851 g/mol.
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