RefChem:301183
TL;DR: RefChem:301183 (CAS 40680-90-8) is a chemical compound with molecular formula C28H37NO10 and molecular weight 547.24 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-(4-propoxyphenyl)propyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium
Also Known As: 2-hydroxy-2-oxoacetate;2-[[5-[1-hydroxy-3-(4-propoxyphenyl)propyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium, 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha- (2-(4-propoxyphenyl)ethyl)-, oxalate (1:1) (salt), 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(4-propoxyphenyl)ethyl)-, oxalate (1:1) (salt), 5-BENZOFURANMETHANOL, 4,7-DIMETHOXY-6-(2-(DIMETHYLAMINO)ETHOXY)-alpha-(2-(4-PROP, 2-hydroxy-2-oxoacetate; 2-[[5-[1-hydroxy-3-(4-propoxyphenyl)propyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium
| Molecular Formula | C28H37NO10 |
|---|---|
| Molecular Weight | 547.24 g/mol |
| LogP | 1.25 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 547.24176 |
| Heavy Atoms | 39 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 40680-90-8 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCC[NH+](C)C)OC)OC=C3)OC)O.C(=O)(C(=O)[O-])O |
| InChIKey | QXLKNPSWYAMFFZ-UHFFFAOYSA-N |
Product Overview
RefChem:301183 (CAS 40680-90-8), with molecular formula C28H37NO10 and molecular weight 547.24 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;2-[[5-[1-hydroxy-3-(4-propoxyphenyl)propyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium.
Chemical Property Profile of RefChem:301183
Property Insights of RefChem:301183
The XLogP value of 1.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:301183. The TPSA of 152.0 Ų indicates high polarity, suggesting RefChem:301183 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:301183 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:301183?
The CAS number of RefChem:301183 is 40680-90-8.
What is the molecular formula of RefChem:301183?
The molecular formula of RefChem:301183 is C28H37NO10.
What is the molecular weight of RefChem:301183?
The molecular weight of RefChem:301183 is 547.24 g/mol.
Where can I buy RefChem:301183?
You can request a quote for RefChem:301183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301183?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.