RefChem:301180
TL;DR: RefChem:301180 (CAS 40680-84-0) is a chemical compound with molecular formula C25H30FNO9 and molecular weight 507.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(4-fluorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(4-fluorophenyl)ethyl)-, oxalate (1:1) (salt), 2-[[5-[3-(4-Fluorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate, 5-BENZOFURANMETHANOL, 4,7-DIMETHOXY-6-(2-(DIMETHYLAMINO)ETHOXY)-alpha-(2-(4-FLUO, 2-[[5-[3-(4-fluorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate, RefChem:301180
| Molecular Formula | C25H30FNO9 |
|---|---|
| Molecular Weight | 507.19 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.19046 |
| Heavy Atoms | 36 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 40680-84-0 |
|---|---|
| SMILES | C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=C(C=C3)F)O)OC)OC.C(=O)(C(=O)[O-])O |
| InChIKey | ULXDDZJNNKGSFB-UHFFFAOYSA-N |
Product Overview
RefChem:301180 (CAS 40680-84-0), with molecular formula C25H30FNO9 and molecular weight 507.19 g/mol. IUPAC: 2-[[5-[3-(4-fluorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:301180
Property Insights of RefChem:301180
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:301180. The TPSA of 143.0 Ų indicates high polarity, suggesting RefChem:301180 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:301180 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:301180?
The CAS number of RefChem:301180 is 40680-84-0.
What is the molecular formula of RefChem:301180?
The molecular formula of RefChem:301180 is C25H30FNO9.
What is the molecular weight of RefChem:301180?
The molecular weight of RefChem:301180 is 507.19 g/mol.
Where can I buy RefChem:301180?
You can request a quote for RefChem:301180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301180?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.