6,8-Dimethyl-8,9-didehydroergoline
TL;DR: 6,8-Dimethyl-8,9-didehydroergoline (CAS 89708-38-3) is a chemical compound with molecular formula C16H18N2 and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Agroclavine, Agroclavine I, 8,8-dimethylergoline, 6,8-Dimethyl-8,9-didehydroergoline, 8,9-Didehydro-6,8-dimethylergoline
| Molecular Formula | C16H18N2 |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.147 |
| Heavy Atoms | 18 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 89708-38-3 |
|---|---|
| SMILES | CC1=CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C |
| InChIKey | XJOOMMHNYOJWCZ-UHFFFAOYSA-N |
Product Overview
6,8-Dimethyl-8,9-didehydroergoline (CAS 89708-38-3), with molecular formula C16H18N2 and molecular weight 238.15 g/mol. IUPAC: 7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of 6,8-Dimethyl-8,9-didehydroergoline
Property Insights of 6,8-Dimethyl-8,9-didehydroergoline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dimethyl-8,9-didehydroergoline. With a topological polar surface area (TPSA) of 19.0 Ų, 6,8-Dimethyl-8,9-didehydroergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dimethyl-8,9-didehydroergoline has 1 hydrogen bond donor(s) and 1 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 6,8-Dimethyl-8,9-didehydroergoline?
The CAS number of 6,8-Dimethyl-8,9-didehydroergoline is 89708-38-3.
What is the molecular formula of 6,8-Dimethyl-8,9-didehydroergoline?
The molecular formula of 6,8-Dimethyl-8,9-didehydroergoline is C16H18N2.
What is the molecular weight of 6,8-Dimethyl-8,9-didehydroergoline?
The molecular weight of 6,8-Dimethyl-8,9-didehydroergoline is 238.15 g/mol.
Where can I buy 6,8-Dimethyl-8,9-didehydroergoline?
You can request a quote for 6,8-Dimethyl-8,9-didehydroergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dimethyl-8,9-didehydroergoline?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dimethyl-8,9-didehydroergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.