RefChem:301196
TL;DR: RefChem:301196 (CAS 40680-75-9) is a chemical compound with molecular formula C28H35NO9 and molecular weight 529.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol;2-hydroxy-2-oxoacetate
Also Known As: 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-phenylethyl)-6-(2-(1-piperidinyl)ethoxy)-, oxalate (1:1) (salt), 1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol; 2-hydroxy-2-oxoacetate, 5-BENZOFURANMETHANOL, 4,7-DIMETHOXY-alpha-(2-PHENYLETHYL)-6-(2-(1-PIPERIDINYL)ET, RefChem:301196
| Molecular Formula | C28H35NO9 |
|---|---|
| Molecular Weight | 529.23 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.2312 |
| Heavy Atoms | 38 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 40680-75-9 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O |
| InChIKey | LXHOWSBWDZOLCU-UHFFFAOYSA-N |
Product Overview
RefChem:301196 (CAS 40680-75-9), with molecular formula C28H35NO9 and molecular weight 529.23 g/mol. IUPAC: 1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:301196
Property Insights of RefChem:301196
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:301196. The TPSA of 143.0 Ų indicates high polarity, suggesting RefChem:301196 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:301196 has 3 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:301196?
The CAS number of RefChem:301196 is 40680-75-9.
What is the molecular formula of RefChem:301196?
The molecular formula of RefChem:301196 is C28H35NO9.
What is the molecular weight of RefChem:301196?
The molecular weight of RefChem:301196 is 529.23 g/mol.
Where can I buy RefChem:301196?
You can request a quote for RefChem:301196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301196?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.