Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-
TL;DR: Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- (CAS 3570-25-0) is a chemical compound with molecular formula C29H38N2O4 and molecular weight 478.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Also Known As: Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-, 6',7',10,11-Tetramethoxy-3',4'-didehydroemetan, (+-)-3',4'-Didehydro-6',7',10,11-tetramethoxyemetan, 6',7',10,11-Tetramethoxy-1'beta-3',4'-didehydroemetan, Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-, (+-)-
| Molecular Formula | C29H38N2O4 |
|---|---|
| Molecular Weight | 478.28 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.28317 |
| Heavy Atoms | 35 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 3570-25-0 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5C=CN4)OC)OC)OC)OC |
| InChIKey | ODVWJPQNARYCEA-CKBKHPSWSA-N |
Product Overview
Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- (CAS 3570-25-0), with molecular formula C29H38N2O4 and molecular weight 478.28 g/mol. IUPAC: (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.
Chemical Property Profile of Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-
Property Insights of Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-
The XLogP value of 5.4 indicates that Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.2 Ų, Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-?
The CAS number of Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- is 3570-25-0.
What is the molecular formula of Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-?
The molecular formula of Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- is C29H38N2O4.
What is the molecular weight of Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-?
The molecular weight of Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- is 478.28 g/mol.
Where can I buy Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-?
You can request a quote for Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Emetan, 3',4'-didehydro-6',7',10,11-tetramethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.