Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride
TL;DR: Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride (CAS 36304-39-9) is a chemical compound with molecular formula C37H60Cl4N4O5 and molecular weight 780.33 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-(4-methylpiperazin-1-yl)propan-2-ol;tetrahydrochloride
Also Known As: KST-1B3587, Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride, 1-(4-methylpiperazin-1-yl)-3-[(1', A)-6',7',10,11-tetramethoxyemetan-2'-yl]propan-2-ol tetrahydrochloride, 2'-(2-Hydroxy-3-(4-methyl-1-piperazinyl)propyl)emetine 4HCl
| Molecular Formula | C37H60Cl4N4O5 |
|---|---|
| Molecular Weight | 780.33 g/mol |
| LogP | 5.9513 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 780.3318 |
| Heavy Atoms | 50 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 36304-39-9 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CN6CCN(CC6)C)O)OC)OC)OC)OC.Cl.Cl.Cl.Cl |
| InChIKey | LOLFMTWOSKPZSJ-YNKDXIQBSA-N |
Product Overview
Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride (CAS 36304-39-9), with molecular formula C37H60Cl4N4O5 and molecular weight 780.33 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-(4-methylpiperazin-1-yl)propan-2-ol;tetrahydrochloride.
Chemical Property Profile of Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride
Property Insights of Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride
The XLogP value of 5.9513 indicates that Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride. Following Lipinski's Rule of Five, Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride has 5 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 Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride?
The CAS number of Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride is 36304-39-9.
What is the molecular formula of Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride?
The molecular formula of Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride is C37H60Cl4N4O5.
What is the molecular weight of Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride?
The molecular weight of Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride is 780.33 g/mol.
Where can I buy Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride?
You can request a quote for Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.