Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-
TL;DR: Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- (CAS 113702-01-5) is a chemical compound with molecular formula C20H26N2O and molecular weight 310.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9R)-4-butyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol
Also Known As: 1-(t-Butyl)-9,10-didehydro-6-methyl-8-beta-hydroxymethylergoline, Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-, (8-beta)-9,10-Didehydro-1-(1,1-dimethylethyl)-6-methylergoline-8-methanol, (1-Butyl-6-methyl-9,10-didehydroergolin-8beta-yl)methanol, RefChem:339704
| Molecular Formula | C20H26N2O |
|---|---|
| Molecular Weight | 310.20 g/mol |
| LogP | 3.3034 |
| Topological Polar Surface Area | 28.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.2045 |
| Heavy Atoms | 23 |
| Complexity | 758.3326 |
Chemical Identifiers
| CAS Number | 113702-01-5 |
|---|---|
| SMILES | CCCCN1C=C2C[C@@H]3C(=C[C@H](CN3C)CO)C4=C2C1=CC=C4 |
Product Overview
Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- (CAS 113702-01-5), with molecular formula C20H26N2O and molecular weight 310.20 g/mol. IUPAC: [(6aR,9R)-4-butyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol.
Chemical Property Profile of Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-
Property Insights of Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-
The XLogP value of 3.3034 indicates that Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.4 Ų, Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- 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 Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-?
The CAS number of Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- is 113702-01-5.
What is the molecular formula of Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-?
The molecular formula of Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- is C20H26N2O.
What is the molecular weight of Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-?
The molecular weight of Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- is 310.20 g/mol.
Where can I buy Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-?
You can request a quote for Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-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-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.