RefChem:1054716
TL;DR: RefChem:1054716 (CAS 26988-01-2) is a chemical compound with molecular formula C36H56Cl3N3O6 and molecular weight 731.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-morpholin-4-ylpropan-2-ol;trihydrochloride
Also Known As: Emetine, 2'-(2-hydroxy-3-morpholinopropyl)-, trihydrochloride, 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-hydroxy-3-morpholinopropyl)-1-isoquinolyl)methyl)-, trihydrochloride, 2-Propanol, 1-(4-morpholinyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, trihydrochloride, 1-(morpholin-4-yl)-3-[(1', A)-6',7',10,11-tetramethoxyemetan-2'-yl]propan-2-ol trihydrochloride
| Molecular Formula | C36H56Cl3N3O6 |
|---|---|
| Molecular Weight | 731.32 g/mol |
| LogP | 5.61 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 731.3235 |
| Heavy Atoms | 48 |
| Complexity | 908.0 |
Chemical Identifiers
| CAS Number | 26988-01-2 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CN6CCOCC6)O)OC)OC)OC)OC.Cl.Cl.Cl |
| InChIKey | ASFLUPGQDLVPJI-VWEMNHGVSA-N |
Product Overview
RefChem:1054716 (CAS 26988-01-2), with molecular formula C36H56Cl3N3O6 and molecular weight 731.32 g/mol. IUPAC: 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-morpholin-4-ylpropan-2-ol;trihydrochloride.
Chemical Property Profile of RefChem:1054716
Property Insights of RefChem:1054716
The XLogP value of 5.61 indicates that RefChem:1054716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054716. Following Lipinski's Rule of Five, RefChem:1054716 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1054716?
The CAS number of RefChem:1054716 is 26988-01-2.
What is the molecular formula of RefChem:1054716?
The molecular formula of RefChem:1054716 is C36H56Cl3N3O6.
What is the molecular weight of RefChem:1054716?
The molecular weight of RefChem:1054716 is 731.32 g/mol.
Where can I buy RefChem:1054716?
You can request a quote for RefChem:1054716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054716?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.