RefChem:1078870
TL;DR: RefChem:1078870 (CAS 41225-98-3) is a chemical compound with molecular formula C26H29NO10 and molecular weight 515.18 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-(3-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(m-methoxycinnamoyl)-, oxalate, 4,7-Dimethoxy-6-(2-dimethylaminoethoxy)-5-(m-methoxycinnamoyl)benzofuran oxalate, 2-[[4,7-dimethoxy-5-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate, 2-Propen-1-one, 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(3-methoxyphenyl)-, ethanedioate (1:1), RefChem:1078870
| Molecular Formula | C26H29NO10 |
|---|---|
| Molecular Weight | 515.18 g/mol |
| LogP | 0.6989 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.17914 |
| Heavy Atoms | 37 |
| Complexity | 1263.8431 |
Chemical Identifiers
| CAS Number | 41225-98-3 |
|---|---|
| SMILES | C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC(=CC=C3)OC)OC)OC.C(=O)(C(=O)[O-])O |
Product Overview
RefChem:1078870 (CAS 41225-98-3), with molecular formula C26H29NO10 and molecular weight 515.18 g/mol. IUPAC: 2-[[4,7-dimethoxy-5-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:1078870
Property Insights of RefChem:1078870
The XLogP value of 0.6989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078870. The TPSA of 149.0 Ų indicates high polarity, suggesting RefChem:1078870 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1078870 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:1078870?
The CAS number of RefChem:1078870 is 41225-98-3.
What is the molecular formula of RefChem:1078870?
The molecular formula of RefChem:1078870 is C26H29NO10.
What is the molecular weight of RefChem:1078870?
The molecular weight of RefChem:1078870 is 515.18 g/mol.
Where can I buy RefChem:1078870?
You can request a quote for RefChem:1078870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.