(8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide
TL;DR: (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide (CAS 4238-84-0) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: d-Lysergic acid dimethylamide, N,N-Dimethyllysergamide, Dimethyllysergamide, lysergic acid dimethylamide, Ergotamine Impurity 5
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 4238-84-0 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(C)C |
| InChIKey | FWHSERNVTGTIJE-MLGOLLRUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide (CAS 4238-84-0), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: (6aR,9R)-N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide
Property Insights of (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide. With a topological polar surface area (TPSA) of 39.3 Ų, (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide?
The CAS number of (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide is 4238-84-0.
What is the molecular formula of (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide?
The molecular formula of (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide is C18H21N3O.
What is the molecular weight of (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide?
The molecular weight of (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide is 295.17 g/mol.
Where can I buy (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide?
You can request a quote for (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.