2-hexahydroazocin-1-yl-1-phenyl-ethanone
TL;DR: 2-hexahydroazocin-1-yl-1-phenyl-ethanone (CAS 115219-11-9) is a chemical compound with molecular formula C22H26N4O2 and molecular weight 378.20557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]imidazole-2-carboxylate
Also Known As: 2-hexahydroazocin-1-yl-1-phenyl-ethanone, 1H-Imidazole-2-carboxylic acid, 1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester, Ethyl 1-(((8-beta)-6-methylergolin-8-yl)methyl)-1H-imidazole-2-carboxylate, 1-[[(8beta)-6-Methylergolin-8-yl]methyl]-1H-imidazole-2-carboxylic acid ethyl ester, Ethyl 1-[(6-methylergolin-8-yl)methyl]-1H-imidazole-2-carboxylate
Technical Specifications
| Molecular Formula | C22H26N4O2 |
| Molecular Weight | 378.20557 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.20557 Da |
| Heavy Atoms | 28 |
| Complexity | 587.0 |
| SMILES | CCOC(=O)C1=NC=CN1C[C@@H]2CC3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C |
| InChIKey | UHBBQWRACBQOJF-LJMFKLJISA-N |
Chemical Property Profile of 2-hexahydroazocin-1-yl-1-phenyl-ethanone
Property Insights of 2-hexahydroazocin-1-yl-1-phenyl-ethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hexahydroazocin-1-yl-1-phenyl-ethanone. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hexahydroazocin-1-yl-1-phenyl-ethanone. Following Lipinski's Rule of Five, 2-hexahydroazocin-1-yl-1-phenyl-ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-hexahydroazocin-1-yl-1-phenyl-ethanone?
The CAS number of 2-hexahydroazocin-1-yl-1-phenyl-ethanone is 115219-11-9.
What is the molecular formula of 2-hexahydroazocin-1-yl-1-phenyl-ethanone?
The molecular formula of 2-hexahydroazocin-1-yl-1-phenyl-ethanone is C22H26N4O2.
What is the molecular weight of 2-hexahydroazocin-1-yl-1-phenyl-ethanone?
The molecular weight of 2-hexahydroazocin-1-yl-1-phenyl-ethanone is 378.20557 g/mol.
Where can I buy 2-hexahydroazocin-1-yl-1-phenyl-ethanone?
You can request a quote for 2-hexahydroazocin-1-yl-1-phenyl-ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-hexahydroazocin-1-yl-1-phenyl-ethanone?
Yes, CoreyChem provides custom synthesis services for 2-hexahydroazocin-1-yl-1-phenyl-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.