Thalistine
TL;DR: Thalistine (CAS 75352-25-9) is a chemical compound with molecular formula C39H44N2O8 and molecular weight 668.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl]phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
Also Known As: thalistine, J1.669.259J, (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl]phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol, 5-Isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxy-3-(4-(((6S)-6,7,8,9-tetrahydro-4-methoxy-7-methyl-1,3-dioxolo(4,5-f)isoquinolin-6-yl)methyl)phenoxy)phenyl)methyl)-2-methyl-, (1S)-, (1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-6,7,8,9-tetrahydro-4-methoxy-7-methyl-1,3-dioxolo[4,5-f]isoquinoline-6-yl]methyl]phenoxy]phenyl]methyl]-2-methylisoquinoline-5-ol
| Molecular Formula | C39H44N2O8 |
|---|---|
| Molecular Weight | 668.31 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 668.30975 |
| Heavy Atoms | 49 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 75352-25-9 |
|---|---|
| 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(=C7CCN6C)O)OC)OC)OC)OC)OCO3 |
| InChIKey | OLUBXTYZCRTRJK-CONSDPRKSA-N |
Product Overview
Thalistine (CAS 75352-25-9), with molecular formula C39H44N2O8 and molecular weight 668.31 g/mol. IUPAC: (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl]phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol.
Chemical Property Profile of Thalistine
Property Insights of Thalistine
The XLogP value of 6.5 indicates that Thalistine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalistine. Following Lipinski's Rule of Five, Thalistine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thalistine?
The CAS number of Thalistine is 75352-25-9.
What is the molecular formula of Thalistine?
The molecular formula of Thalistine is C39H44N2O8.
What is the molecular weight of Thalistine?
The molecular weight of Thalistine is 668.31 g/mol.
Where can I buy Thalistine?
You can request a quote for Thalistine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalistine?
Yes, KEHONG BIO provides custom synthesis services for Thalistine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.