2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate
TL;DR: 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate (CAS 470474-47-6) is a chemical compound with molecular formula C21H33NO8 and molecular weight 427.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)methylamino]-1-(2-ethyl-2-methyloxan-4-yl)ethanol;oxalic acid
Also Known As: 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate, 2-[(3,4-dimethoxyphenyl)methylamino]-1-(2-ethyl-2-methyloxan-4-yl)ethanol; oxalic acid, IUPAC: 2-[(3,4-dimethoxyphenyl)methylamino]-1-(2-ethyl-2-methyl-oxan-4-yl)ethanol; Oxalic Acid
| Molecular Formula | C21H33NO8 |
|---|---|
| Molecular Weight | 427.22 g/mol |
| LogP | 1.9052 |
| Topological Polar Surface Area | 134.55 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.2206 |
| Heavy Atoms | 30 |
| Complexity | 683.584 |
Chemical Identifiers
| CAS Number | 470474-47-6 |
|---|---|
| SMILES | CCC1(CC(CCO1)C(CNCC2=CC(=C(C=C2)OC)OC)O)C.C(=O)(C(=O)O)O |
Product Overview
2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate (CAS 470474-47-6), with molecular formula C21H33NO8 and molecular weight 427.22 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)methylamino]-1-(2-ethyl-2-methyloxan-4-yl)ethanol;oxalic acid.
Chemical Property Profile of 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate
Property Insights of 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate
The XLogP value of 1.9052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate. The TPSA of 134.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate. Following Lipinski's Rule of Five, 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate?
The CAS number of 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate is 470474-47-6.
What is the molecular formula of 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate?
The molecular formula of 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate is C21H33NO8.
What is the molecular weight of 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate?
The molecular weight of 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate is 427.22 g/mol.
Where can I buy 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate?
You can request a quote for 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-dimethoxybenzyl)amino)-1-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)ethanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.