RefChem:301184
TL;DR: RefChem:301184 (CAS 40680-72-6) is a chemical compound with molecular formula C25H31NO9 and molecular weight 489.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium
Also Known As: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-phenylethyl)-, oxalate (1:1) (salt), 2-hydroxy-2-oxoacetate;2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium, 5-BENZOFURANMETHANOL, 4,7-DIMETHOXY-6-(2-(DIMETHYLAMINO)ETHOXY)-alpha-(2-PHENYLE, 2-hydroxy-2-oxoacetate; 2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium, RefChem:301184
| Molecular Formula | C25H31NO9 |
|---|---|
| Molecular Weight | 489.20 g/mol |
| LogP | 0.46 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.1999 |
| Heavy Atoms | 35 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 40680-72-6 |
|---|---|
| SMILES | C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3)O)OC)OC.C(=O)(C(=O)[O-])O |
| InChIKey | SAJDXJADXKOKPC-UHFFFAOYSA-N |
Product Overview
RefChem:301184 (CAS 40680-72-6), with molecular formula C25H31NO9 and molecular weight 489.20 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium.
Chemical Property Profile of RefChem:301184
Property Insights of RefChem:301184
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:301184. The TPSA of 143.0 Ų indicates high polarity, suggesting RefChem:301184 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:301184 has 3 hydrogen bond donor(s) and 9 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 RefChem:301184?
The CAS number of RefChem:301184 is 40680-72-6.
What is the molecular formula of RefChem:301184?
The molecular formula of RefChem:301184 is C25H31NO9.
What is the molecular weight of RefChem:301184?
The molecular weight of RefChem:301184 is 489.20 g/mol.
Where can I buy RefChem:301184?
You can request a quote for RefChem:301184 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301184?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.