(8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide
TL;DR: (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide (CAS 64080-28-0) is a chemical compound with molecular formula C21H29N3O and molecular weight 339.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-tert-butylacetamide
Also Known As: (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide, Ergoline-8-acetamide, N-(1,1-dimethylethyl)-6-methyl-, (8-beta)-, N-tert-Butyl-2-(6-methylergolin-8-yl)ethanimidic acid, N-tert-Butyl[(10xi)-6-methylergolin-8beta-yl]ethanimidic acid, BRN 0707717
| Molecular Formula | C21H29N3O |
|---|---|
| Molecular Weight | 339.23 g/mol |
| LogP | 3.4327 |
| Topological Polar Surface Area | 48.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.23105 |
| Heavy Atoms | 25 |
| Complexity | 801.06433 |
Chemical Identifiers
| CAS Number | 64080-28-0 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
Product Overview
(8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide (CAS 64080-28-0), with molecular formula C21H29N3O and molecular weight 339.23 g/mol. IUPAC: 2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-tert-butylacetamide.
Chemical Property Profile of (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide
Property Insights of (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide
The XLogP value of 3.4327 indicates that (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.13 Ų, (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide 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 (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide?
The CAS number of (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide is 64080-28-0.
What is the molecular formula of (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide?
The molecular formula of (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide is C21H29N3O.
What is the molecular weight of (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide?
The molecular weight of (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide is 339.23 g/mol.
Where can I buy (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide?
You can request a quote for (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide?
Yes, KEHONG BIO provides custom synthesis services for (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.