RefChem:1054746
TL;DR: RefChem:1054746 (CAS 26988-00-1) is a chemical compound with molecular formula C37H58Cl3N3O5 and molecular weight 729.3442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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-piperidin-1-ylpropan-2-ol;trihydrochloride
Also Known As: KST-1B2589, 2'-(2-Hydroxy-3-piperidinopropyl)emetine tri-HCl, Emetine, 2'-(2-hydroxy-3-piperidinopropyl)-, trihydrochloride, 1-(piperidin-1-yl)-3-[(1', A)-6',7',10,11-tetramethoxyemetan-2'-yl]propan-2-ol trihydrochloride
Technical Specifications
| Molecular Formula | C37H58Cl3N3O5 |
| Molecular Weight | 729.3442 g/mol |
| XLogP | 6.77 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 729.3442 Da |
| Heavy Atoms | 48 |
| Complexity | 905.0 |
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CN6CCCCC6)O)OC)OC)OC)OC.Cl.Cl.Cl |
| InChIKey | PMCGBJXDRUOCKW-DDLKYBQASA-N |
Chemical Property Profile of RefChem:1054746
Property Insights of RefChem:1054746
The XLogP value of 6.77 indicates that RefChem:1054746 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054746. Following Lipinski's Rule of Five, RefChem:1054746 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1054746?
The CAS number of RefChem:1054746 is 26988-00-1.
What is the molecular formula of RefChem:1054746?
The molecular formula of RefChem:1054746 is C37H58Cl3N3O5.
What is the molecular weight of RefChem:1054746?
The molecular weight of RefChem:1054746 is 729.3442 g/mol.
Where can I buy RefChem:1054746?
You can request a quote for RefChem:1054746 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1054746?
Yes, CoreyChem provides custom synthesis services for RefChem:1054746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.