Emetine dihydrochloride
TL;DR: Emetine dihydrochloride (CAS 83029-37-2) is a chemical compound with molecular formula C29H42Cl2N2O4 and molecular weight 552.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,11bS)-2-[[(1R)-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;dihydrochloride
Also Known As: EMETINE DIHYDROCHLORIDE, Emetine hydrochloride, Emetine HCl, Amebicide, Purum
| Molecular Formula | C29H42Cl2N2O4 |
|---|---|
| Molecular Weight | 552.25 g/mol |
| LogP | 5.787 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.25214 |
| Heavy Atoms | 37 |
| Complexity | 1064.6875 |
Chemical Identifiers
| CAS Number | 83029-37-2 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl |
Product Overview
Emetine dihydrochloride (CAS 83029-37-2), with molecular formula C29H42Cl2N2O4 and molecular weight 552.25 g/mol. IUPAC: (2S,3R,11bS)-2-[[(1R)-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;dihydrochloride.
Chemical Property Profile of Emetine dihydrochloride
Property Insights of Emetine dihydrochloride
The XLogP value of 5.787 indicates that Emetine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, Emetine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emetine dihydrochloride 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?
The CAS number of Emetine dihydrochloride is 83029-37-2.
What is the molecular formula of Emetine dihydrochloride?
The molecular formula of Emetine dihydrochloride is C29H42Cl2N2O4.
What is the molecular weight of Emetine dihydrochloride?
The molecular weight of Emetine dihydrochloride is 552.25 g/mol.
Where can I buy Emetine dihydrochloride?
You can request a quote for Emetine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emetine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Emetine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.