N,N-Diethyl-6-methylergoline-8-carboxamide
TL;DR: N,N-Diethyl-6-methylergoline-8-carboxamide (CAS 3031-47-8) is a chemical compound with molecular formula C20H27N3O and molecular weight 325.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Dihydrolysergic acid diethylamide, Lysergamide, N,N-diethyldihydro-, Ergoline-8-carboxamide, N,N-diethyl-6-methyl-, (8-beta)-, N,N-Diethyl-6-methylergoline-8-carboxamide, (8-beta)-N,N-Diethyl-6-methylergoline-8-carboxamide
| Molecular Formula | C20H27N3O |
|---|---|
| Molecular Weight | 325.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.21542 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 3031-47-8 |
|---|---|
| SMILES | CCN(CC)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
| InChIKey | XNARQIIKDPXTHC-OXPKRCOGSA-N |
Product Overview
N,N-Diethyl-6-methylergoline-8-carboxamide (CAS 3031-47-8), with molecular formula C20H27N3O and molecular weight 325.22 g/mol. IUPAC: (6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of N,N-Diethyl-6-methylergoline-8-carboxamide
Property Insights of N,N-Diethyl-6-methylergoline-8-carboxamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-6-methylergoline-8-carboxamide. With a topological polar surface area (TPSA) of 39.3 Ų, N,N-Diethyl-6-methylergoline-8-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-6-methylergoline-8-carboxamide has 1 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,N-Diethyl-6-methylergoline-8-carboxamide?
The CAS number of N,N-Diethyl-6-methylergoline-8-carboxamide is 3031-47-8.
What is the molecular formula of N,N-Diethyl-6-methylergoline-8-carboxamide?
The molecular formula of N,N-Diethyl-6-methylergoline-8-carboxamide is C20H27N3O.
What is the molecular weight of N,N-Diethyl-6-methylergoline-8-carboxamide?
The molecular weight of N,N-Diethyl-6-methylergoline-8-carboxamide is 325.22 g/mol.
Where can I buy N,N-Diethyl-6-methylergoline-8-carboxamide?
You can request a quote for N,N-Diethyl-6-methylergoline-8-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-6-methylergoline-8-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-6-methylergoline-8-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.