(8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide
TL;DR: (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide (CAS 71953-76-9) is a chemical compound with molecular formula C19H23N3O and molecular weight 309.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9S)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Nor-iso-LSD, N-Demethyllysergic acid diethylamide, J1.676.701H, 9,10-Didehydro-N,N-diethylergoline-8alpha-carboxamide, (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide
| Molecular Formula | C19H23N3O |
|---|---|
| Molecular Weight | 309.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.1841 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 71953-76-9 |
|---|---|
| SMILES | CCN(CC)C(=O)[C@@H]1CN[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1 |
| InChIKey | SUXLVXOMPKZBOV-SUMWQHHRSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide (CAS 71953-76-9), with molecular formula C19H23N3O and molecular weight 309.18 g/mol. IUPAC: (6aR,9S)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide
Property Insights of (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide. With a topological polar surface area (TPSA) of 48.1 Ų, (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide has 2 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 (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide?
The CAS number of (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide is 71953-76-9.
What is the molecular formula of (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide?
The molecular formula of (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide is C19H23N3O.
What is the molecular weight of (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide?
The molecular weight of (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide is 309.18 g/mol.
Where can I buy (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide?
You can request a quote for (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (8I+/-lpha)-9,10-Didehydro-N,N-diethylergoline-8-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.