Thaliracebine
TL;DR: Thaliracebine (CAS 67591-63-3) is a chemical compound with molecular formula C39H44N2O7 and molecular weight 652.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-9-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: Thaliracebine, J2.437.867E, 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-9-methoxy-5-((4-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methyl-, (S-(R*,R*))-, (5S)-5-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-9-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline, (1S)-6,7-DIMETHOXY-1-{[4-METHOXY-3-(4-{[(5S)-9-METHOXY-6-METHYL-2H,5H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-YL]METHYL}PHENOXY)PHENYL]METHYL}-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE
| Molecular Formula | C39H44N2O7 |
|---|---|
| Molecular Weight | 652.31 g/mol |
| LogP | 6.7854 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 652.3149 |
| Heavy Atoms | 48 |
| Complexity | 1790.7938 |
Chemical Identifiers
| CAS Number | 67591-63-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)C[C@H]5C6=CC7=C(C(=C6CCN5C)OC)OCO7)OC)OC |
Product Overview
Thaliracebine (CAS 67591-63-3), with molecular formula C39H44N2O7 and molecular weight 652.31 g/mol. IUPAC: (5S)-5-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-9-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of Thaliracebine
Property Insights of Thaliracebine
The XLogP value of 6.7854 indicates that Thaliracebine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Thaliracebine. Following Lipinski's Rule of Five, Thaliracebine 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 Thaliracebine?
The CAS number of Thaliracebine is 67591-63-3.
What is the molecular formula of Thaliracebine?
The molecular formula of Thaliracebine is C39H44N2O7.
What is the molecular weight of Thaliracebine?
The molecular weight of Thaliracebine is 652.31 g/mol.
Where can I buy Thaliracebine?
You can request a quote for Thaliracebine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thaliracebine?
Yes, KEHONG BIO provides custom synthesis services for Thaliracebine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.