Des-N-allyl cabergoline
TL;DR: Des-N-allyl cabergoline (CAS 153415-36-2) is a chemical compound with molecular formula C23H33N5O2 and molecular weight 411.26343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
Also Known As: 6-Norcabergoline, Des-N-allylcabergoline, Des-N-allyl cabergoline, Cabergoline Impurity 12, Cabergoline EP Impurity J
Technical Specifications
| Molecular Formula | C23H33N5O2 |
| Molecular Weight | 411.26343 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.26343 Da |
| Heavy Atoms | 30 |
| Complexity | 627.0 |
| SMILES | CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)NC1 |
| InChIKey | XOLPCQSBSDIBGB-YVWKXTFCSA-N |
Chemical Property Profile of Des-N-allyl cabergoline
Property Insights of Des-N-allyl cabergoline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Des-N-allyl cabergoline. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Des-N-allyl cabergoline. Following Lipinski's Rule of Five, Des-N-allyl cabergoline has 3 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 Des-N-allyl cabergoline?
The CAS number of Des-N-allyl cabergoline is 153415-36-2.
What is the molecular formula of Des-N-allyl cabergoline?
The molecular formula of Des-N-allyl cabergoline is C23H33N5O2.
What is the molecular weight of Des-N-allyl cabergoline?
The molecular weight of Des-N-allyl cabergoline is 411.26343 g/mol.
Where can I buy Des-N-allyl cabergoline?
You can request a quote for Des-N-allyl cabergoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Des-N-allyl cabergoline?
Yes, CoreyChem provides custom synthesis services for Des-N-allyl cabergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.