TL;DR: 17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide (CAS 108206-16-2) is a chemical compound with molecular formula C26H27IN6O2 and molecular weight 580.1242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,15S,18S,19S,20S)-N-(4-azido-3-(125I)iodophenyl)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide
Also Known As: Rau-azpc, 17-Hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide, N-[4-Azido-3-(~125~I)iodophenyl]-17-hydroxyyohimban-16-carboximidic acid, (1S,15S,18S,19S,20S)-N-(4-azido-3-(125I)iodanylphenyl)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide, (1S,15S,18S,19S,20S)-N-(4-azido-3-iodanylphenyl)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide
| Molecular Formula | C26H27IN6O2 |
| Molecular Weight | 580.1242 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 580.1242 Da |
| Heavy Atoms | 35 |
| Complexity | 854.0 |
| SMILES | C1C[C@@H]([C@H]([C@@H]2[C@H]1CN3CCC4=C([C@@H]3C2)NC5=CC=CC=C45)C(=O)NC6=CC(=C(C=C6)N=[N+]=[N-])[125I])O |
| InChIKey | OIJUJHQUYGBPNM-NCNAYSDWSA-N |
The XLogP value of 5.5 indicates that 17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide. Following Lipinski's Rule of Five, 17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide is 108206-16-2.
The molecular formula of 17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide is C26H27IN6O2.
The molecular weight of 17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide is 580.1242 g/mol.
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