TL;DR: KH 7 free (CAS 1026516-60-8) is a chemical compound with molecular formula C17H15BrN4O2S and molecular weight 418.00992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]propanamide
Also Known As: KH 7 free, KH 7, KH7, 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(3-bromo-6-oxocyclohexa, (E)-2-(1H-Benzo[d]imidazol-2-ylthio)-N'-(5-bromo-2-hydroxybenzylidene)propanehydrazide
| Molecular Formula | C17H15BrN4O2S |
| Molecular Weight | 418.00992 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.00992 Da |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
| SMILES | CC(C(=O)NN=CC1=C(C=CC(=C1)Br)O)SC2=NC3=CC=CC=C3N2 |
| InChIKey | WILMXUAKQKGGCC-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that KH 7 free is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KH 7 free. Following Lipinski's Rule of Five, KH 7 free has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of KH 7 free is 1026516-60-8.
The molecular formula of KH 7 free is C17H15BrN4O2S.
The molecular weight of KH 7 free is 418.00992 g/mol.
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