Narcotoline
TL;DR: Narcotoline (CAS 521-40-4) is a chemical compound with molecular formula C21H21NO7 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: Narcotoline, desmethylnarcotine, (-)-NARCOTOLINE, NARCOTOLINE [MI], EINECS 208-313-6
| Molecular Formula | C21H21NO7 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1318 |
| Heavy Atoms | 29 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 521-40-4 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3 |
| InChIKey | LMGZCSKYOKDBES-AEFFLSMTSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Narcotoline (CAS 521-40-4), with molecular formula C21H21NO7 and molecular weight 399.13 g/mol. IUPAC: (3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of Narcotoline
Property Insights of Narcotoline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Narcotoline. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Narcotoline. Following Lipinski's Rule of Five, Narcotoline has 1 hydrogen bond donor(s) and 8 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 Narcotoline?
The CAS number of Narcotoline is 521-40-4.
What is the molecular formula of Narcotoline?
The molecular formula of Narcotoline is C21H21NO7.
What is the molecular weight of Narcotoline?
The molecular weight of Narcotoline is 399.13 g/mol.
Where can I buy Narcotoline?
You can request a quote for Narcotoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Narcotoline?
Yes, KEHONG BIO provides custom synthesis services for Narcotoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.