(+-)-Dehydro-2,3 isoemetine, oxalate
TL;DR: (+-)-Dehydro-2,3 isoemetine, oxalate (CAS 101077-19-4) is a chemical compound with molecular formula C31H42N2O8 and molecular weight 570.2941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;oxalic acid
Also Known As: (+-)-Dehydro-2,3 isoemetine, oxalate, (+-)-Dehydro-2,3 isoemetine, oxalate [French], (1'-beta)-6',7',10,11-Tetramethoxyemetan oxalate, Emetan, 6',7',10,11-tetramethoxy-, oxalate, (1'-beta)-, 2H-Benzo(a)quinolizine, 1,4,6,7,11b-pentahydro-9,10-dimethoxy-3-ethyl-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-, oxalate, (+-)
Technical Specifications
| Molecular Formula | C31H42N2O8 |
| Molecular Weight | 570.2941 g/mol |
| XLogP | 4.099 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 570.2941 Da |
| Heavy Atoms | 41 |
| Complexity | 751.0 |
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.C(=O)(C(=O)O)O |
| InChIKey | WXICOPRXDAXRTE-MRFSYGAJSA-N |
Chemical Property Profile of (+-)-Dehydro-2,3 isoemetine, oxalate
Property Insights of (+-)-Dehydro-2,3 isoemetine, oxalate
The XLogP value of 4.099 indicates that (+-)-Dehydro-2,3 isoemetine, oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (+-)-Dehydro-2,3 isoemetine, oxalate. Following Lipinski's Rule of Five, (+-)-Dehydro-2,3 isoemetine, oxalate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (+-)-Dehydro-2,3 isoemetine, oxalate?
The CAS number of (+-)-Dehydro-2,3 isoemetine, oxalate is 101077-19-4.
What is the molecular formula of (+-)-Dehydro-2,3 isoemetine, oxalate?
The molecular formula of (+-)-Dehydro-2,3 isoemetine, oxalate is C31H42N2O8.
What is the molecular weight of (+-)-Dehydro-2,3 isoemetine, oxalate?
The molecular weight of (+-)-Dehydro-2,3 isoemetine, oxalate is 570.2941 g/mol.
Where can I buy (+-)-Dehydro-2,3 isoemetine, oxalate?
You can request a quote for (+-)-Dehydro-2,3 isoemetine, oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+-)-Dehydro-2,3 isoemetine, oxalate?
Yes, CoreyChem provides custom synthesis services for (+-)-Dehydro-2,3 isoemetine, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.