1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline
TL;DR: 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline (CAS 113702-04-8) is a chemical compound with molecular formula C26H34N2O3 and molecular weight 422.25696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(6aR,9R)-4-tert-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methoxy]cyclopent-2-en-1-one
Also Known As: 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline, 2-Cyclopenten-1-one, 3-(((8-beta)-1-(1,1-dimethylethyl)-10-methoxy-6-methylergolin-8-yl)methoxy)-, 3-[(1-tert-Butyl-10-methoxy-6-methylergolin-8-yl)methoxy]cyclopent-2-en-1-one, 3-{[(10xi)-1-tert-Butyl-10-methoxy-6-methylergolin-8beta-yl]methoxy}cyclopent-2-en-1-one
Technical Specifications
| Molecular Formula | C26H34N2O3 |
| Molecular Weight | 422.25696 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.25696 Da |
| Heavy Atoms | 31 |
| Complexity | 743.0 |
| SMILES | CC(C)(C)N1C=C2C[C@@H]3C(C[C@H](CN3C)COC4=CC(=O)CC4)(C5=C2C1=CC=C5)OC |
| InChIKey | QCALDAVQGVOCOV-ALKJAXCESA-N |
Chemical Property Profile of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline
Property Insights of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline. With a topological polar surface area (TPSA) of 43.7 Ų, 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline?
The CAS number of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline is 113702-04-8.
What is the molecular formula of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline?
The molecular formula of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline is C26H34N2O3.
What is the molecular weight of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline?
The molecular weight of 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline is 422.25696 g/mol.
Where can I buy 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline?
You can request a quote for 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline?
Yes, CoreyChem provides custom synthesis services for 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.