Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-
TL;DR: Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- (CAS 101769-98-6) is a chemical compound with molecular formula C16H17BrN2O and molecular weight 332.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Also Known As: 2-bromolysergol, Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-, (2-Bromo-6-methyl-9,10-didehydroergolin-8beta-yl)methanol
| Molecular Formula | C16H17BrN2O |
|---|---|
| Molecular Weight | 332.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.05243 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 101769-98-6 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=C(NC4=CC=CC2=C34)Br)CO |
| InChIKey | ZOUBAHRISDTOBN-YMTOWFKASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- (CAS 101769-98-6), with molecular formula C16H17BrN2O and molecular weight 332.05 g/mol. IUPAC: [(6aR,9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.
Chemical Property Profile of Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-
Property Insights of Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-. With a topological polar surface area (TPSA) of 39.3 Ų, Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- 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-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-?
The CAS number of Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- is 101769-98-6.
What is the molecular formula of Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-?
The molecular formula of Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- is C16H17BrN2O.
What is the molecular weight of Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-?
The molecular weight of Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- is 332.05 g/mol.
Where can I buy Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-?
You can request a quote for Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- 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, 2-bromo-9,10-didehydro-6-methyl-, (8beta)-?
Yes, KEHONG BIO provides custom synthesis services for Ergoline-8-methanol, 2-bromo-9,10-didehydro-6-methyl-, (8beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.