Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-
TL;DR: Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- (CAS 50583-88-5) is a chemical compound with molecular formula C20H25N3O and molecular weight 323.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-butyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: N-Butyllysergamide, Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-, (8-beta)-N-Butyl-9,10-didehydro-6-methylergoline-8-carboxamide, Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8beta)-, N-Butyl-6-methyl-9,10-didehydroergoline-8beta-carboxamide
| Molecular Formula | C20H25N3O |
|---|---|
| Molecular Weight | 323.20 g/mol |
| LogP | 2.9539 |
| Topological Polar Surface Area | 48.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.19977 |
| Heavy Atoms | 24 |
| Complexity | 804.3169 |
Chemical Identifiers
| CAS Number | 50583-88-5 |
|---|---|
| SMILES | CCCCNC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C |
Product Overview
Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- (CAS 50583-88-5), with molecular formula C20H25N3O and molecular weight 323.20 g/mol. IUPAC: (6aR,9R)-N-butyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-
Property Insights of Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-
The XLogP value of 2.9539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-. With a topological polar surface area (TPSA) of 48.13 Ų, Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- 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 Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-?
The CAS number of Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- is 50583-88-5.
What is the molecular formula of Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-?
The molecular formula of Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- is C20H25N3O.
What is the molecular weight of Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-?
The molecular weight of Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- is 323.20 g/mol.
Where can I buy Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-?
You can request a quote for Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Ergoline-8-carboxamide, N-butyl-9,10-didehydro-6-methyl-, (8-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.