N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide
TL;DR: N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide (CAS 120478-64-0) 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.
N-[(6aR,9S,10aR)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
Also Known As: Sdz-208-911, Sdz 208-911, N-(2,6-Dimethylergoline-8-yl)-2,2-dimethylpropanamide, SID:134223816, N-(2,6-Dimethylergolin-8alpha-yl)-2,2-dimethylpropanamide
| Molecular Formula | C21H29N3O |
|---|---|
| Molecular Weight | 339.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.23105 |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 120478-64-0 |
|---|---|
| SMILES | CC1=C2C[C@@H]3[C@H](C[C@@H](CN3C)NC(=O)C(C)(C)C)C4=C2C(=CC=C4)N1 |
| InChIKey | ZNMWUMGOSWLWOH-FDQGKXFDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide (CAS 120478-64-0), with molecular formula C21H29N3O and molecular weight 339.23 g/mol. IUPAC: N-[(6aR,9S,10aR)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide.
Chemical Property Profile of N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide
Property Insights of N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide
The XLogP value of 3.6 indicates that N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.1 Ų, N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide 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 N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide?
The CAS number of N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide is 120478-64-0.
What is the molecular formula of N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide?
The molecular formula of N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide is C21H29N3O.
What is the molecular weight of N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide?
The molecular weight of N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide is 339.23 g/mol.
Where can I buy N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide?
You can request a quote for N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.