Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL
TL;DR: Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL (CAS 32545-65-6) is a chemical compound with molecular formula C42H59Cl2N3O8S and molecular weight 835.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(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]-2-hydroxypropyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide;dihydrochloride
Also Known As: Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL, 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(3-(3,4-dimethoxycarbaniloylmethylthio)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, n-(3,4-dimethoxyphenyl)-2-{[2-hydroxy-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propyl]sulfanyl}acetamide dihydrochloride, 2-[3-[(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]-2-hydroxypropyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide dihydrochloride, Emetine, 2'-[3-[[[(3,4-dimethoxyphenyl)carbamoyl]methyl]thio]-2-hydroxypropyl]-, dihydrochloride
| Molecular Formula | C42H59Cl2N3O8S |
|---|---|
| Molecular Weight | 835.34 g/mol |
| LogP | 7.2494 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 835.33997 |
| Heavy Atoms | 56 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 32545-65-6 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CSCC(=O)NC6=CC(=C(C=C6)OC)OC)O)OC)OC)OC)OC.Cl.Cl |
| InChIKey | ZGAFTFSIONWXNK-BICMCWAZSA-N |
Product Overview
Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL (CAS 32545-65-6), with molecular formula C42H59Cl2N3O8S and molecular weight 835.34 g/mol. IUPAC: 2-[3-[(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]-2-hydroxypropyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide;dihydrochloride.
Chemical Property Profile of Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL
Property Insights of Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL
The XLogP value of 7.2494 indicates that Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL. Following Lipinski's Rule of Five, Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL has 4 hydrogen bond donor(s) and 11 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'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL?
The CAS number of Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL is 32545-65-6.
What is the molecular formula of Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL?
The molecular formula of Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL is C42H59Cl2N3O8S.
What is the molecular weight of Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL?
The molecular weight of Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL is 835.34 g/mol.
Where can I buy Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL?
You can request a quote for Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL?
Yes, KEHONG BIO provides custom synthesis services for Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.