Emetan-6',10-diol, 7',11-dimethoxy-
TL;DR: Emetan-6',10-diol, 7',11-dimethoxy- (CAS 82570-80-7) is a chemical compound with molecular formula C27H36N2O4 and molecular weight 452.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,11bS)-3-ethyl-2-[[(1R)-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol
Also Known As: Emetan-6',10-diol, 7',11-dimethoxy-, 7',11-dimethoxyemetan-6',10-diol, 7',11-Dimethoxy-1'beta-emetan-6',10-diol, (2S,3R,11bS)-3-ethyl-2-[[(1R)-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol
| Molecular Formula | C27H36N2O4 |
|---|---|
| Molecular Weight | 452.27 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.26752 |
| Heavy Atoms | 33 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 82570-80-7 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)O |
| InChIKey | ZLKKQJYXMVJOCL-IKPGRFEGSA-N |
Product Overview
Emetan-6',10-diol, 7',11-dimethoxy- (CAS 82570-80-7), with molecular formula C27H36N2O4 and molecular weight 452.27 g/mol. IUPAC: (2S,3R,11bS)-3-ethyl-2-[[(1R)-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol.
Chemical Property Profile of Emetan-6',10-diol, 7',11-dimethoxy-
Property Insights of Emetan-6',10-diol, 7',11-dimethoxy-
The XLogP value of 4.1 indicates that Emetan-6',10-diol, 7',11-dimethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Emetan-6',10-diol, 7',11-dimethoxy-. Following Lipinski's Rule of Five, Emetan-6',10-diol, 7',11-dimethoxy- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emetan-6',10-diol, 7',11-dimethoxy-?
The CAS number of Emetan-6',10-diol, 7',11-dimethoxy- is 82570-80-7.
What is the molecular formula of Emetan-6',10-diol, 7',11-dimethoxy-?
The molecular formula of Emetan-6',10-diol, 7',11-dimethoxy- is C27H36N2O4.
What is the molecular weight of Emetan-6',10-diol, 7',11-dimethoxy-?
The molecular weight of Emetan-6',10-diol, 7',11-dimethoxy- is 452.27 g/mol.
Where can I buy Emetan-6',10-diol, 7',11-dimethoxy-?
You can request a quote for Emetan-6',10-diol, 7',11-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emetan-6',10-diol, 7',11-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Emetan-6',10-diol, 7',11-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.