Thalistyline
TL;DR: Thalistyline (CAS 6698-98-2) is a chemical compound with molecular formula C41H49N2O8+ and molecular weight 697.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
Also Known As: Thalistyline, KST-1A7371, (1s)-5,6,7-trimethoxy-1-[4-methoxy-3-(4-{[(6s)-4-methoxy-7-methyl-6,7,8,9-tetrahydro[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)benzyl]-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium, (6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline, (1S)-5,6,7-Trimethoxy-1-{[4-methoxy-3-(4-{[(6S)-4-methoxy-7-methyl-6,7,8,9-tetrahydro-2H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)phenyl]methyl}-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium
| Molecular Formula | C41H49N2O8+ |
|---|---|
| Molecular Weight | 697.35 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 697.3489 |
| Heavy Atoms | 51 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 6698-98-2 |
|---|---|
| SMILES | CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C(=C7CC[N+]6(C)C)OC)OC)OC)OC)OC)OCO3 |
| InChIKey | UNLANLZLFACELM-LQJZCPKCSA-N |
Product Overview
Thalistyline (CAS 6698-98-2), with molecular formula C41H49N2O8+ and molecular weight 697.35 g/mol. IUPAC: (6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline.
Chemical Property Profile of Thalistyline
Property Insights of Thalistyline
The XLogP value of 6.9 indicates that Thalistyline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalistyline. Following Lipinski's Rule of Five, Thalistyline has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thalistyline?
The CAS number of Thalistyline is 6698-98-2.
What is the molecular formula of Thalistyline?
The molecular formula of Thalistyline is C41H49N2O8+.
What is the molecular weight of Thalistyline?
The molecular weight of Thalistyline is 697.35 g/mol.
Where can I buy Thalistyline?
You can request a quote for Thalistyline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalistyline?
Yes, KEHONG BIO provides custom synthesis services for Thalistyline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.