TL;DR: CB 184 (CAS 165307-47-1) is a chemical compound with molecular formula C22H21Cl2NO2 and molecular weight 401.09494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,5R,8E)-8-[(3,4-dichlorophenyl)methylidene]-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
Also Known As: CB 184, 3-Ethoxy-androsta-3,5-dien-17-ol-d3, NCI60_028024, (1R,5R,8E)-8-[(3,4-dichlorophenyl)methylidene]-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, (1R,5R,8E)-5-(3-Hydroxyphenyl)-8-(3,4-dichlorobenzylidene)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
| Molecular Formula | C22H21Cl2NO2 |
| Molecular Weight | 401.09494 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.09494 Da |
| Heavy Atoms | 27 |
| Complexity | 609.0 |
| SMILES | CN1CC[C@]2(C[C@@H]1/C(=C\C3=CC(=C(C=C3)Cl)Cl)/C(=O)C2)C4=CC(=CC=C4)O |
| InChIKey | SSPWSCFMVXPMNL-COSXAGSESA-N |
The XLogP value of 4.9 indicates that CB 184 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, CB 184 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CB 184 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 CB 184 is 165307-47-1.
The molecular formula of CB 184 is C22H21Cl2NO2.
The molecular weight of CB 184 is 401.09494 g/mol.
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