1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)
TL;DR: 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) (CAS 26987-94-0) is a chemical compound with molecular formula C33H50Cl2N2O5 and molecular weight 624.31 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]butan-2-ol;dihydrochloride
Also Known As: 2'-(2-Hydroxybutyl)emetine HCl, 2'-(2-Hydroxybutyl)emetine dihydrochloride, Emetine, 2'-(2-hydroxybutyl)-, dihydrochloride, 1-(6',7',10,11-tetramethoxyemetan-2'-yl)butan-2-ol dihydrochloride, 2-Butanol, 1-(6',7',10,11-tetramethoxyemetan-2'-yl)-, dihydrochloride
| Molecular Formula | C33H50Cl2N2O5 |
|---|---|
| Molecular Weight | 624.31 g/mol |
| LogP | 6.27 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 624.3097 |
| Heavy Atoms | 42 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 26987-94-0 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CC)O)OC)OC)OC)OC.Cl.Cl |
| InChIKey | KVOJPYNOLMQTST-KGCJXFAKSA-N |
Product Overview
1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) (CAS 26987-94-0), with molecular formula C33H50Cl2N2O5 and molecular weight 624.31 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]butan-2-ol;dihydrochloride.
Chemical Property Profile of 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)
Property Insights of 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)
The XLogP value of 6.27 indicates that 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2). Following Lipinski's Rule of Five, 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)?
The CAS number of 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) is 26987-94-0.
What is the molecular formula of 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)?
The molecular formula of 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) is C33H50Cl2N2O5.
What is the molecular weight of 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)?
The molecular weight of 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) is 624.31 g/mol.
Where can I buy 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)?
You can request a quote for 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 1-(6',7',10,11-Tetramethoxyemetan-2'-yl)butan-2-ol--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.