RefChem:1065231
TL;DR: RefChem:1065231 (CAS 26988-03-4) is a chemical compound with molecular formula C34H52Cl2N2O6 and molecular weight 654.32 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-ethoxypropan-2-ol;dihydrochloride
Also Known As: Emetine, 2'-(3-ethoxy-2-hydroxypropyl)-, dihydrochloride, 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-ethoxy-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, 2-Propanol, 1-ethoxy-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, dihydrochloride, 1-ethoxy-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol dihydrochloride, Emetine, 2'-(3-ethoxy-2-hydroxypropyl)-, dihydrochloride (8CI)
| Molecular Formula | C34H52Cl2N2O6 |
|---|---|
| Molecular Weight | 654.32 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 654.32025 |
| Heavy Atoms | 44 |
| Complexity | 819.0 |
Chemical Identifiers
| CAS Number | 26988-03-4 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(COCC)O)OC)OC)OC)OC.Cl.Cl |
| InChIKey | KWYNNCKWGGJQDV-USAYKRQDSA-N |
Product Overview
RefChem:1065231 (CAS 26988-03-4), with molecular formula C34H52Cl2N2O6 and molecular weight 654.32 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-ethoxypropan-2-ol;dihydrochloride.
Chemical Property Profile of RefChem:1065231
Property Insights of RefChem:1065231
The XLogP value of 5.9 indicates that RefChem:1065231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065231. Following Lipinski's Rule of Five, RefChem:1065231 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1065231?
The CAS number of RefChem:1065231 is 26988-03-4.
What is the molecular formula of RefChem:1065231?
The molecular formula of RefChem:1065231 is C34H52Cl2N2O6.
What is the molecular weight of RefChem:1065231?
The molecular weight of RefChem:1065231 is 654.32 g/mol.
Where can I buy RefChem:1065231?
You can request a quote for RefChem:1065231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065231?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.