异麦角酸二乙酰胺
TL;DR: 异麦角酸二乙酰胺 (CAS 2126-78-5) is a chemical compound with molecular formula C20H25N3O and molecular weight 323.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异麦角酸二乙酰胺
(6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: iso-LSD, Iso-lysergide, Lysergide, Isolysergic acid diethylamide, iso LSD
| Molecular Formula | C20H25N3O |
|---|---|
| Molecular Weight | 323.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.19977 |
| Heavy Atoms | 24 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 2126-78-5 |
|---|---|
| SMILES | CCN(CC)C(=O)[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C |
| InChIKey | VAYOSLLFUXYJDT-KBXCAEBGSA-N |
Product Overview
异麦角酸二乙酰胺 (CAS 2126-78-5), with molecular formula C20H25N3O and molecular weight 323.20 g/mol. IUPAC: (6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of 异麦角酸二乙酰胺
Property Insights of 异麦角酸二乙酰胺
The XLogP value of 3.0 indicates that 异麦角酸二乙酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, 异麦角酸二乙酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异麦角酸二乙酰胺 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 异麦角酸二乙酰胺?
The CAS number of 异麦角酸二乙酰胺 is 2126-78-5.
What is the molecular formula of 异麦角酸二乙酰胺?
The molecular formula of 异麦角酸二乙酰胺 is C20H25N3O.
What is the molecular weight of 异麦角酸二乙酰胺?
The molecular weight of 异麦角酸二乙酰胺 is 323.20 g/mol.
Where can I buy 异麦角酸二乙酰胺?
You can request a quote for 异麦角酸二乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异麦角酸二乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for 异麦角酸二乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.