RefChem:1078892
TL;DR: RefChem:1078892 (CAS 41226-18-0) is a chemical compound with molecular formula C28H33NO10 and molecular weight 543.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate
Also Known As: Benzofuran, 6-(2-diethylaminoethoxy)-4,7-dimethoxy-5-(p-methoxycinnamoyl)-, oxalate, 6-(2-Diethylaminoethoxy)-4,7-dimethoxy-5-(p-methoxycinnamoyl)benzofuran oxalate, 2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-diethylazanium; 2-hydroxy-2-oxoacetate, 2-Propen-1-one, 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-, ethanedioate (1:1), RefChem:1078892
| Molecular Formula | C28H33NO10 |
|---|---|
| Molecular Weight | 543.21 g/mol |
| LogP | 1.4791 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 543.21045 |
| Heavy Atoms | 39 |
| Complexity | 1277.9113 |
Chemical Identifiers
| CAS Number | 41226-18-0 |
|---|---|
| SMILES | CC[NH+](CC)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)OC)OC)OC.C(=O)(C(=O)[O-])O |
Product Overview
RefChem:1078892 (CAS 41226-18-0), with molecular formula C28H33NO10 and molecular weight 543.21 g/mol. IUPAC: 2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:1078892
Property Insights of RefChem:1078892
The XLogP value of 1.4791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078892. The TPSA of 149.0 Ų indicates high polarity, suggesting RefChem:1078892 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1078892 has 2 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:1078892?
The CAS number of RefChem:1078892 is 41226-18-0.
What is the molecular formula of RefChem:1078892?
The molecular formula of RefChem:1078892 is C28H33NO10.
What is the molecular weight of RefChem:1078892?
The molecular weight of RefChem:1078892 is 543.21 g/mol.
Where can I buy RefChem:1078892?
You can request a quote for RefChem:1078892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078892?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.