O-methylthalibrine
TL;DR: O-methylthalibrine (CAS 6629-22-7) is a chemical compound with molecular formula C39H46N2O6 and molecular weight 638.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Also Known As: O-methylthalibrine, O-Methyldauricine, Thalibrine methyl ether, (+)-O-Methylthalibrine, KST-1A7246
| Molecular Formula | C39H46N2O6 |
|---|---|
| Molecular Weight | 638.34 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 638.3356 |
| Heavy Atoms | 47 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 6629-22-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC |
| InChIKey | UHYCXSGUNAWVBW-LQJZCPKCSA-N |
Product Overview
O-methylthalibrine (CAS 6629-22-7), with molecular formula C39H46N2O6 and molecular weight 638.34 g/mol. IUPAC: (1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of O-methylthalibrine
Property Insights of O-methylthalibrine
The XLogP value of 7.0 indicates that O-methylthalibrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-methylthalibrine. Following Lipinski's Rule of Five, O-methylthalibrine 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 O-methylthalibrine?
The CAS number of O-methylthalibrine is 6629-22-7.
What is the molecular formula of O-methylthalibrine?
The molecular formula of O-methylthalibrine is C39H46N2O6.
What is the molecular weight of O-methylthalibrine?
The molecular weight of O-methylthalibrine is 638.34 g/mol.
Where can I buy O-methylthalibrine?
You can request a quote for O-methylthalibrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methylthalibrine?
Yes, KEHONG BIO provides custom synthesis services for O-methylthalibrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.