RefChem:1054694
TL;DR: RefChem:1054694 (CAS 26988-04-5) is a chemical compound with molecular formula C39H62Cl2N2O6 and molecular weight 724.40 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-heptoxypropan-2-ol;dihydrochloride
Also Known As: Emetine, 2'-(3-(heptyloxy)-2-hydroxypropyl)-, dihydrochloride, 1-(heptyloxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol dihydrochloride, 2-Propanol, 1-(heptyloxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, dihydrochloride, 1-(Heptyloxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2), 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-heptyloxy-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, isopropanol
| Molecular Formula | C39H62Cl2N2O6 |
|---|---|
| Molecular Weight | 724.40 g/mol |
| LogP | 7.85 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 724.3985 |
| Heavy Atoms | 49 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 26988-04-5 |
|---|---|
| SMILES | CCCCCCCOCC(CN1CCC2=CC(=C(C=C2[C@H]1C[C@H]3C[C@H]4C5=CC(=C(C=C5CCN4C[C@@H]3CC)OC)OC)OC)OC)O.Cl.Cl |
| InChIKey | LAZAYJPMBYFLFZ-QPTGYPFRSA-N |
Product Overview
RefChem:1054694 (CAS 26988-04-5), with molecular formula C39H62Cl2N2O6 and molecular weight 724.40 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-heptoxypropan-2-ol;dihydrochloride.
Chemical Property Profile of RefChem:1054694
Property Insights of RefChem:1054694
The XLogP value of 7.85 indicates that RefChem:1054694 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:1054694. Following Lipinski's Rule of Five, RefChem:1054694 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:1054694?
The CAS number of RefChem:1054694 is 26988-04-5.
What is the molecular formula of RefChem:1054694?
The molecular formula of RefChem:1054694 is C39H62Cl2N2O6.
What is the molecular weight of RefChem:1054694?
The molecular weight of RefChem:1054694 is 724.40 g/mol.
Where can I buy RefChem:1054694?
You can request a quote for RefChem:1054694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.