Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate
TL;DR: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate (CAS 52171-41-2) is a chemical compound with molecular formula C25H27NO10 and molecular weight 501.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;2-[[5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium
Also Known As: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate, 4,7-Dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)benzofuran oxalate, 2-hydroxy-2-oxoacetate; 2-[[5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium, 2-Propen-1-one, 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-hydroxyphenyl)-, ethanedioate (1:1) (salt), RefChem:1078876
| Molecular Formula | C25H27NO10 |
|---|---|
| Molecular Weight | 501.16 g/mol |
| LogP | 0.3959 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.16348 |
| Heavy Atoms | 36 |
| Complexity | 1229.9536 |
Chemical Identifiers
| CAS Number | 52171-41-2 |
|---|---|
| SMILES | C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)O)OC)OC.C(=O)(C(=O)[O-])O |
Product Overview
Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate (CAS 52171-41-2), with molecular formula C25H27NO10 and molecular weight 501.16 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;2-[[5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium.
Chemical Property Profile of Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate
Property Insights of Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate
The XLogP value of 0.3959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate. The TPSA of 160.0 Ų indicates high polarity, suggesting Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate 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 Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate?
The CAS number of Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate is 52171-41-2.
What is the molecular formula of Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate?
The molecular formula of Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate is C25H27NO10.
What is the molecular weight of Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate?
The molecular weight of Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate is 501.16 g/mol.
Where can I buy Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate?
You can request a quote for Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.