Line
TL;DR: Line (CAS 778520-41-5) is a chemical compound with molecular formula C43H56N2O8+2 and molecular weight 728.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-[2-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
Also Known As: Line, 1-(2-(5-((6,7-Dimethoxy-2,2-dimethyl-1,2,3,4-tetrahydro-2lambda(5)-isoquinolin-1-yl)methyl)-2-methoxyphenoxy)-4,5-dimethoxybenzyl)-6,7-dimethoxy-2,2-dimethyl-1,2,3,4-tetrahydro-2lambda(5)-isoquinoline, 1-((4,5-Dimethoxy-2-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethylisoquinolinio)methyl)phenoxy)phenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethylisoquinolinium, Isoquinolinium, 1-((4,5-dimethoxy-2-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethylisoquinolinio)methyl)phenoxy)phenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-, Isoquinolinium, 1-((4,5-dimethoxy-2-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethylisoquinolinium-1-yl)methyl)phenoxy)phenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-
| Molecular Formula | C43H56N2O8+2 |
|---|---|
| Molecular Weight | 728.40 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 728.4037 |
| Heavy Atoms | 53 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 778520-41-5 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC4=CC(=C(C=C4CC5C6=CC(=C(C=C6CC[N+]5(C)C)OC)OC)OC)OC)OC)OC)C |
| InChIKey | XCLBDNOYLJKGLS-UHFFFAOYSA-N |
Product Overview
Line (CAS 778520-41-5), with molecular formula C43H56N2O8+2 and molecular weight 728.40 g/mol. IUPAC: 1-[[3-[2-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium.
Chemical Property Profile of Line
Property Insights of Line
The XLogP value of 7.0 indicates that Line is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Line. Following Lipinski's Rule of Five, Line has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Line?
The CAS number of Line is 778520-41-5.
What is the molecular formula of Line?
The molecular formula of Line is C43H56N2O8+2.
What is the molecular weight of Line?
The molecular weight of Line is 728.40 g/mol.
Where can I buy Line?
You can request a quote for Line directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Line?
Yes, KEHONG BIO provides custom synthesis services for Line and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.