N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide
TL;DR: N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide (CAS 3031-48-9) is a chemical compound with molecular formula C18H23N3O and molecular weight 297.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide
Also Known As: Acetergamine, Acetergamina, Acetergaminum, Acetergamine [INN], Acetergaminum [INN-Latin]
| Molecular Formula | C18H23N3O |
|---|---|
| Molecular Weight | 297.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.1841 |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 3031-48-9 |
|---|---|
| SMILES | CC(=O)NC[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
| InChIKey | SGZVEWGAZGOWGP-XGWLTEMNSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide (CAS 3031-48-9), with molecular formula C18H23N3O and molecular weight 297.18 g/mol. IUPAC: N-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide.
Chemical Property Profile of N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide
Property Insights of N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide. With a topological polar surface area (TPSA) of 48.1 Ų, N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(((8beta)-6-Methylergolin-8-yl)methyl)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 N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide?
The CAS number of N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide is 3031-48-9.
What is the molecular formula of N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide?
The molecular formula of N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide is C18H23N3O.
What is the molecular weight of N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide?
The molecular weight of N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide is 297.18 g/mol.
Where can I buy N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide?
You can request a quote for N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.