epi-Temuconine
TL;DR: epi-Temuconine (CAS 126589-93-3) is a chemical compound with molecular formula C37H42N2O6 and molecular weight 610.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: epi-Temuconine, (-)-Temuconine, (1S)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol, (1S)-1-{[4-(5-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-hydroxyphenoxy)phenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol, RefChem:137134
| Molecular Formula | C37H42N2O6 |
|---|---|
| Molecular Weight | 610.30 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 610.30426 |
| Heavy Atoms | 45 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 126589-93-3 |
|---|---|
| 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)O)O)OC |
| InChIKey | VMGXSDYPKKPINM-IOWSJCHKSA-N |
Product Overview
epi-Temuconine (CAS 126589-93-3), with molecular formula C37H42N2O6 and molecular weight 610.30 g/mol. IUPAC: (1S)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of epi-Temuconine
Property Insights of epi-Temuconine
The XLogP value of 6.4 indicates that epi-Temuconine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for epi-Temuconine. Following Lipinski's Rule of Five, epi-Temuconine has 2 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 epi-Temuconine?
The CAS number of epi-Temuconine is 126589-93-3.
What is the molecular formula of epi-Temuconine?
The molecular formula of epi-Temuconine is C37H42N2O6.
What is the molecular weight of epi-Temuconine?
The molecular weight of epi-Temuconine is 610.30 g/mol.
Where can I buy epi-Temuconine?
You can request a quote for epi-Temuconine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for epi-Temuconine?
Yes, KEHONG BIO provides custom synthesis services for epi-Temuconine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.