RefChem:1065229
TL;DR: RefChem:1065229 (CAS 27124-10-3) is a chemical compound with molecular formula C42H70Cl3N3O5 and molecular weight 801.44 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-(dipentylamino)propan-2-ol;trihydrochloride
Also Known As: Emetine, 2'-(3-(dipentylamino)-2-hydroxypropyl)-, trihydrochloride, 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-(dipentylamino)-2-hydroxy)propyl)-1-isoquinolyl)methyl)-, trihydrochloride, 2-Propanol, 1-(dipentylamino)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, trihydrochloride, Emetine, 2'-[3-(dipentylamino)-2-hydroxypropyl]-, trihydrochloride, 1-(Dipentylamino)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/3)
| Molecular Formula | C42H70Cl3N3O5 |
|---|---|
| Molecular Weight | 801.44 g/mol |
| LogP | 8.96 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 801.4381 |
| Heavy Atoms | 53 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 27124-10-3 |
|---|---|
| SMILES | CCCCCN(CCCCC)CC(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.Cl |
| InChIKey | DXFWSNHLVLBLBO-VKGXSAKZSA-N |
Product Overview
RefChem:1065229 (CAS 27124-10-3), with molecular formula C42H70Cl3N3O5 and molecular weight 801.44 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-(dipentylamino)propan-2-ol;trihydrochloride.
Chemical Property Profile of RefChem:1065229
Property Insights of RefChem:1065229
The XLogP value of 8.96 indicates that RefChem:1065229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065229. Following Lipinski's Rule of Five, RefChem:1065229 has 4 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:1065229?
The CAS number of RefChem:1065229 is 27124-10-3.
What is the molecular formula of RefChem:1065229?
The molecular formula of RefChem:1065229 is C42H70Cl3N3O5.
What is the molecular weight of RefChem:1065229?
The molecular weight of RefChem:1065229 is 801.44 g/mol.
Where can I buy RefChem:1065229?
You can request a quote for RefChem:1065229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065229?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.