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(+-)-Aza-3-emetine, 3HCl, 1.5H20 [French]
TL;DR: (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] (CAS 66833-22-5) is a chemical compound with molecular formula C28H42Cl3N3O4 and molecular weight 589.22 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-1,2,4,6,7,11b-hexahydropyrimido[6,1-a]isoquinoline;trihydrochloride
Also Known As: (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French], (+-)-Aza-3-emetine, 3HCl, 1.5H20, C28H37N3O4.3ClH.3/2H2O, C28-H37-N3-O4.3Cl-H.3/2H2-O, Pyrazino(1,2-a)isoquinoline, 1,3,4,7,11b-hexahydro-9,10-dimethyl-3-ethyl-2-((6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolyl)methyl)-, trihydrochloride, sesquihydrate
| Molecular Formula | C28H42Cl3N3O4 |
|---|---|
| Molecular Weight | 589.22 g/mol |
| LogP | 5.2144 |
| Topological Polar Surface Area | 55.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 589.22406 |
| Heavy Atoms | 38 |
| Complexity | 1072.1248 |
Chemical Identifiers
| CAS Number | 66833-22-5 |
|---|---|
| SMILES | CCN1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl.Cl |
Product Overview
(+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] (CAS 66833-22-5), with molecular formula C28H42Cl3N3O4 and molecular weight 589.22 g/mol. IUPAC: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,2,4,6,7,11b-hexahydropyrimido[6,1-a]isoquinoline;trihydrochloride.
Chemical Property Profile of (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French]
Property Insights of (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French]
The XLogP value of 5.2144 indicates that (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.43 Ų, (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French]?
The CAS number of (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] is 66833-22-5.
What is the molecular formula of (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French]?
The molecular formula of (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] is C28H42Cl3N3O4.
What is the molecular weight of (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French]?
The molecular weight of (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] is 589.22 g/mol.
Where can I buy (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French]?
You can request a quote for (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French]?
Yes, KEHONG BIO provides custom synthesis services for (+-)-Aza-3-emetine, 3HCl, 1.5H20 [French] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.