N-Propargylnornuciferine
TL;DR: N-Propargylnornuciferine (CAS 40698-00-8) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR)-1,2-dimethoxy-6-prop-2-ynyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Also Known As: N-Propargylnornuciferine, (R)-5,6,6a,7-Tetrahydro-1,2-dimethoxy-6-(2-propynyl)-4H-dibenzo(de,g)quinoline, (6ar)-1,2-dimethoxy-6-(prop-2-yn-1-yl)-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-(2-propynyl)-, (R)-, 1,2-Dimethoxy-6-(prop-2-yn-1-yl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 40698-00-8 |
|---|---|
| SMILES | COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC#C)OC |
| InChIKey | BLPDRJXCUPQBHU-QGZVFWFLSA-N |
Product Overview
N-Propargylnornuciferine (CAS 40698-00-8), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: (6aR)-1,2-dimethoxy-6-prop-2-ynyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Chemical Property Profile of N-Propargylnornuciferine
Property Insights of N-Propargylnornuciferine
The XLogP value of 3.5 indicates that N-Propargylnornuciferine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, N-Propargylnornuciferine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Propargylnornuciferine has 0 hydrogen bond donor(s) and 3 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-Propargylnornuciferine?
The CAS number of N-Propargylnornuciferine is 40698-00-8.
What is the molecular formula of N-Propargylnornuciferine?
The molecular formula of N-Propargylnornuciferine is C21H21NO2.
What is the molecular weight of N-Propargylnornuciferine?
The molecular weight of N-Propargylnornuciferine is 319.16 g/mol.
Where can I buy N-Propargylnornuciferine?
You can request a quote for N-Propargylnornuciferine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Propargylnornuciferine?
Yes, KEHONG BIO provides custom synthesis services for N-Propargylnornuciferine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.