Ergoline, 1,6,8-trimethyl-, (8-beta)-
TL;DR: Ergoline, 1,6,8-trimethyl-, (8-beta)- (CAS 81967-87-5) is a chemical compound with molecular formula C17H22N2 and molecular weight 254.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,9-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Also Known As: 1-Methylfestuclavine, 1,6,8-trimethylergoline, Misonidazole glucuronide, Misonidazole-beta-glucuronide, (8-beta)-1,6,8-Trimethylergoline
| Molecular Formula | C17H22N2 |
|---|---|
| Molecular Weight | 254.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 8.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.1783 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 81967-87-5 |
|---|---|
| SMILES | CC1CC2C(CC3=CN(C4=CC=CC2=C34)C)N(C1)C |
| InChIKey | ADPVUBKUMMKOKD-UHFFFAOYSA-N |
Product Overview
Ergoline, 1,6,8-trimethyl-, (8-beta)- (CAS 81967-87-5), with molecular formula C17H22N2 and molecular weight 254.18 g/mol. IUPAC: 4,7,9-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline.
Chemical Property Profile of Ergoline, 1,6,8-trimethyl-, (8-beta)-
Property Insights of Ergoline, 1,6,8-trimethyl-, (8-beta)-
The XLogP value of 3.1 indicates that Ergoline, 1,6,8-trimethyl-, (8-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.2 Ų, Ergoline, 1,6,8-trimethyl-, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline, 1,6,8-trimethyl-, (8-beta)- has 0 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 Ergoline, 1,6,8-trimethyl-, (8-beta)-?
The CAS number of Ergoline, 1,6,8-trimethyl-, (8-beta)- is 81967-87-5.
What is the molecular formula of Ergoline, 1,6,8-trimethyl-, (8-beta)-?
The molecular formula of Ergoline, 1,6,8-trimethyl-, (8-beta)- is C17H22N2.
What is the molecular weight of Ergoline, 1,6,8-trimethyl-, (8-beta)-?
The molecular weight of Ergoline, 1,6,8-trimethyl-, (8-beta)- is 254.18 g/mol.
Where can I buy Ergoline, 1,6,8-trimethyl-, (8-beta)-?
You can request a quote for Ergoline, 1,6,8-trimethyl-, (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, 1,6,8-trimethyl-, (8-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Ergoline, 1,6,8-trimethyl-, (8-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.