TL;DR: Nalbzoh (CAS 119630-94-3) is a chemical compound with molecular formula C26H27N3O4 and molecular weight 445.20016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)amino]benzamide
Also Known As: Nalbzoh, Naloxone benzoylhydrazone, N-[(4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ylidene)amino]benzamide, N-[(4a,9-Dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)amino]benzamide
| Molecular Formula | C26H27N3O4 |
| Molecular Weight | 445.20016 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 94.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.20016 Da |
| Heavy Atoms | 33 |
| Complexity | 841.0 |
| SMILES | C=CCN1CCC23C4C(=NNC(=O)C5=CC=CC=C5)CCC2(C1CC6=C3C(=C(C=C6)O)O4)O |
| InChIKey | AKXCFAYOTIEFOH-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Nalbzoh is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nalbzoh. Following Lipinski's Rule of Five, Nalbzoh has 3 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 Nalbzoh is 119630-94-3.
The molecular formula of Nalbzoh is C26H27N3O4.
The molecular weight of Nalbzoh is 445.20016 g/mol.
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