RefChem:1065230
TL;DR: RefChem:1065230 (CAS 26987-96-2) is a chemical compound with molecular formula C39H54Cl2N2O7 and molecular weight 732.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[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-(2-methoxyphenoxy)propan-2-ol;dihydrochloride
Also Known As: KST-1B2586, Emetine, 2'-(2-hydroxy-3-(o-methoxyphenoxy)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-(3-(o-anisyloxy)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, 1-(2-methoxyphenoxy)-3-[(1'xi)-6',7',10,11-tetramethoxyemetan-2'-yl]propan-2-ol dihydrochloride, 2-Propanol, 1-(2-methoxyphenoxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 2HCl
| Molecular Formula | C39H54Cl2N2O7 |
|---|---|
| Molecular Weight | 732.33 g/mol |
| LogP | 6.95 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 732.3308 |
| Heavy Atoms | 50 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 26987-96-2 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4C5=CC(=C(C=C5CCN4CC(COC6=CC=CC=C6OC)O)OC)OC)OC)OC.Cl.Cl |
| InChIKey | DXMLXEIHVKENSC-YBUDBYFWSA-N |
Product Overview
RefChem:1065230 (CAS 26987-96-2), with molecular formula C39H54Cl2N2O7 and molecular weight 732.33 g/mol. IUPAC: 1-[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-(2-methoxyphenoxy)propan-2-ol;dihydrochloride.
Chemical Property Profile of RefChem:1065230
Property Insights of RefChem:1065230
The XLogP value of 6.95 indicates that RefChem:1065230 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065230. Following Lipinski's Rule of Five, RefChem:1065230 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:1065230?
The CAS number of RefChem:1065230 is 26987-96-2.
What is the molecular formula of RefChem:1065230?
The molecular formula of RefChem:1065230 is C39H54Cl2N2O7.
What is the molecular weight of RefChem:1065230?
The molecular weight of RefChem:1065230 is 732.33 g/mol.
Where can I buy RefChem:1065230?
You can request a quote for RefChem:1065230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065230?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.