Emetine dihydrochloride tetrahydrate
TL;DR: Emetine dihydrochloride tetrahydrate (CAS 73713-75-4) is a chemical compound with molecular formula C29H50Cl2N2O8 and molecular weight 624.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(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;tetrahydrate;dihydrochloride
Also Known As: Emetine 2HCl 4H2O, Emetine dihydrochloride tetrahydrate, NCI-C01605, Emetinedihydrochloridetetrahydrate, 6',7',10,11-Tetramethoxyemetan dihydrochloride tetrahydrate
| Molecular Formula | C29H50Cl2N2O8 |
|---|---|
| Molecular Weight | 624.29 g/mol |
| LogP | 2.4882 |
| Topological Polar Surface Area | 178.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 624.29443 |
| Heavy Atoms | 41 |
| Complexity | 1075.5974 |
Chemical Identifiers
| CAS Number | 73713-75-4 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.O.O.O.Cl.Cl |
Product Overview
Emetine dihydrochloride tetrahydrate (CAS 73713-75-4), with molecular formula C29H50Cl2N2O8 and molecular weight 624.29 g/mol. IUPAC: 2-[(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;tetrahydrate;dihydrochloride.
Chemical Property Profile of Emetine dihydrochloride tetrahydrate
Property Insights of Emetine dihydrochloride tetrahydrate
The XLogP value of 2.4882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emetine dihydrochloride tetrahydrate. The TPSA of 178.19 Ų indicates high polarity, suggesting Emetine dihydrochloride tetrahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emetine dihydrochloride tetrahydrate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emetine dihydrochloride tetrahydrate?
The CAS number of Emetine dihydrochloride tetrahydrate is 73713-75-4.
What is the molecular formula of Emetine dihydrochloride tetrahydrate?
The molecular formula of Emetine dihydrochloride tetrahydrate is C29H50Cl2N2O8.
What is the molecular weight of Emetine dihydrochloride tetrahydrate?
The molecular weight of Emetine dihydrochloride tetrahydrate is 624.29 g/mol.
Where can I buy Emetine dihydrochloride tetrahydrate?
You can request a quote for Emetine dihydrochloride tetrahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emetine dihydrochloride tetrahydrate?
Yes, KEHONG BIO provides custom synthesis services for Emetine dihydrochloride tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.