Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate
TL;DR: Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate (CAS 126606-39-1) is a chemical compound with molecular formula C26H41N5O9P2 and molecular weight 629.238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-N-[3-(dimethylamino)propylcarbamoyl]-N-ethyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;phosphono dihydrogen phosphate
Also Known As: Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate, N'-[3-(Dimethylamino)propyl]-N-ethyl-N-{[(10xi)-6-(prop-2-en-1-yl)ergolin-8beta-yl]carbonyl}carbamimidic acid--diphosphoric acid (1/1), N'-[3-(Dimethylamino)propyl]-N-ethyl-N-{[6-(prop-2-en-1-yl)ergolin-8-yl]carbonyl}carbamimidic acid--diphosphoric acid (1/1)
Technical Specifications
| Molecular Formula | C26H41N5O9P2 |
| Molecular Weight | 629.238 g/mol |
| XLogP | 2.3823 |
| Topological Polar Surface Area (TPSA) | 196.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 629.238 Da |
| Heavy Atoms | 42 |
| Complexity | 860.0 |
| SMILES | CCN(C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C)C(=O)NCCCN(C)C.OP(=O)(O)OP(=O)(O)O |
| InChIKey | KRINBCDXDDRQGC-LUXCZUCXSA-N |
Chemical Property Profile of Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate
Property Insights of Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate
The XLogP value of 2.3823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate. The TPSA of 196.0 Ų indicates high polarity, suggesting Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate?
The CAS number of Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate is 126606-39-1.
What is the molecular formula of Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate?
The molecular formula of Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate is C26H41N5O9P2.
What is the molecular weight of Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate?
The molecular weight of Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate is 629.238 g/mol.
Where can I buy Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate?
You can request a quote for Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate?
Yes, CoreyChem provides custom synthesis services for Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.