RefChem:1078873
TL;DR: RefChem:1078873 (CAS 41226-33-9) is a chemical compound with molecular formula C29H35NO10 and molecular weight 557.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-butoxycinnamoyl)-, oxalate, 4,7-Dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-butoxycinnamoyl)benzofuran oxalate, 2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate, 2-Propen-1-one, 3-(4-butoxyphenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-, ethanedioate (1:1), RefChem:1078873
| Molecular Formula | C29H35NO10 |
|---|---|
| Molecular Weight | 557.23 g/mol |
| LogP | 1.8692 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 557.2261 |
| Heavy Atoms | 40 |
| Complexity | 1296.5911 |
Chemical Identifiers
| CAS Number | 41226-33-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCC[NH+](C)C)OC)OC=C3)OC.C(=O)(C(=O)[O-])O |
Product Overview
RefChem:1078873 (CAS 41226-33-9), with molecular formula C29H35NO10 and molecular weight 557.23 g/mol. IUPAC: 2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:1078873
Property Insights of RefChem:1078873
The XLogP value of 1.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078873. The TPSA of 149.0 Ų indicates high polarity, suggesting RefChem:1078873 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1078873 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:1078873?
The CAS number of RefChem:1078873 is 41226-33-9.
What is the molecular formula of RefChem:1078873?
The molecular formula of RefChem:1078873 is C29H35NO10.
What is the molecular weight of RefChem:1078873?
The molecular weight of RefChem:1078873 is 557.23 g/mol.
Where can I buy RefChem:1078873?
You can request a quote for RefChem:1078873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078873?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.