Thalibrine
TL;DR: Thalibrine (CAS 59614-34-5) is a chemical compound with molecular formula C38H44N2O6 and molecular weight 624.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol, 1-(4-(5-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-2-methoxyphenoxy)benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol, 1-[(4-{5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenoxy}phenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol, 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol, THALIBRINE
| Molecular Formula | C38H44N2O6 |
|---|---|
| Molecular Weight | 624.32 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 624.31995 |
| Heavy Atoms | 46 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 59614-34-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)OC)O)OC |
| InChIKey | MEETXPGMOAAZPG-UHFFFAOYSA-N |
Product Overview
Thalibrine (CAS 59614-34-5), with molecular formula C38H44N2O6 and molecular weight 624.32 g/mol. IUPAC: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of Thalibrine
Property Insights of Thalibrine
The XLogP value of 6.7 indicates that Thalibrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalibrine. Following Lipinski's Rule of Five, Thalibrine has 1 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 Thalibrine?
The CAS number of Thalibrine is 59614-34-5.
What is the molecular formula of Thalibrine?
The molecular formula of Thalibrine is C38H44N2O6.
What is the molecular weight of Thalibrine?
The molecular weight of Thalibrine is 624.32 g/mol.
Where can I buy Thalibrine?
You can request a quote for Thalibrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalibrine?
Yes, KEHONG BIO provides custom synthesis services for Thalibrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.