RefChem:301202
TL;DR: RefChem:301202 (CAS 40680-91-9) is a chemical compound with molecular formula C29H39NO10 and molecular weight 561.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(4-butoxyphenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: 5-Benzofuranmethanol, alpha-(2-(4-butoxyphenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, oxalate (1:1) (salt), 2-[[5-[3-(4-Butoxyphenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate, 5-BENZOFURANMETHANOL, alpha-(2-(4-BUTOXYPHENYL)ETHYL)-4,7-DIMETHOXY-6-(2-(DIMETH, 2-[[5-[3-(4-butoxyphenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate, RefChem:301202
| Molecular Formula | C29H39NO10 |
|---|---|
| Molecular Weight | 561.26 g/mol |
| LogP | 1.64 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 561.2574 |
| Heavy Atoms | 40 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 40680-91-9 |
|---|---|
| SMILES | CCCCOC1=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 | LVAJWCASDZLPNJ-UHFFFAOYSA-N |
Product Overview
RefChem:301202 (CAS 40680-91-9), with molecular formula C29H39NO10 and molecular weight 561.26 g/mol. IUPAC: 2-[[5-[3-(4-butoxyphenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:301202
Property Insights of RefChem:301202
The XLogP value of 1.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:301202. The TPSA of 152.0 Ų indicates high polarity, suggesting RefChem:301202 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:301202 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:301202?
The CAS number of RefChem:301202 is 40680-91-9.
What is the molecular formula of RefChem:301202?
The molecular formula of RefChem:301202 is C29H39NO10.
What is the molecular weight of RefChem:301202?
The molecular weight of RefChem:301202 is 561.26 g/mol.
Where can I buy RefChem:301202?
You can request a quote for RefChem:301202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301202?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.