RefChem:268586
TL;DR: RefChem:268586 (CAS 26988-05-6) is a chemical compound with molecular formula C39H54Cl2N2O6S and molecular weight 748.31 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-(4-methylsulfanylphenoxy)propan-2-ol;dihydrochloride
Also Known As: KST-1B2594, Emetine, 2'-(2-hydroxy-3-(p-(methylthio)phenoxy)propyl)-, 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-(2-hydroxy-3-(p-methylthiophenoxy)propyl)-1-isoquinolyl)methyl)-, dihydrochloride, 1-[4-(methylsulfanyl)phenoxy]-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol dihydrochloride, 2-Propanol, 1-((4-methylthio)phenoxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, hydrochloride
| Molecular Formula | C39H54Cl2N2O6S |
|---|---|
| Molecular Weight | 748.31 g/mol |
| LogP | 7.66 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 748.308 |
| Heavy Atoms | 50 |
| Complexity | 971.0 |
Chemical Identifiers
| CAS Number | 26988-05-6 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(COC6=CC=C(C=C6)SC)O)OC)OC)OC)OC.Cl.Cl |
| InChIKey | BBYAIGVWQYSAQX-CFMRXITCSA-N |
Product Overview
RefChem:268586 (CAS 26988-05-6), with molecular formula C39H54Cl2N2O6S and molecular weight 748.31 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-(4-methylsulfanylphenoxy)propan-2-ol;dihydrochloride.
Chemical Property Profile of RefChem:268586
Property Insights of RefChem:268586
The XLogP value of 7.66 indicates that RefChem:268586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268586. Following Lipinski's Rule of Five, RefChem:268586 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:268586?
The CAS number of RefChem:268586 is 26988-05-6.
What is the molecular formula of RefChem:268586?
The molecular formula of RefChem:268586 is C39H54Cl2N2O6S.
What is the molecular weight of RefChem:268586?
The molecular weight of RefChem:268586 is 748.31 g/mol.
Where can I buy RefChem:268586?
You can request a quote for RefChem:268586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268586?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.