RefChem:301175
TL;DR: RefChem:301175 (CAS 40680-76-0) is a chemical compound with molecular formula C27H33NO10 and molecular weight 531.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol;2-hydroxy-2-oxoacetate
Also Known As: 5-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(4-morpholinyl)ethoxy)-alpha-(2-phenylethyl)-, oxalate (1:1) (salt), 1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol; 2-hydroxy-2-oxoacetate, 5-BENZOFURANMETHANOL, 4,7-DIMETHOXY-6-(2-(4-MORPHOLINYL)ETHOXY)-alpha-(2-PHENYLE, RefChem:301175
| Molecular Formula | C27H33NO10 |
|---|---|
| Molecular Weight | 531.21 g/mol |
| LogP | 0.23 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.21045 |
| Heavy Atoms | 38 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 40680-76-0 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCOCC3)C(CCC4=CC=CC=C4)O.C(=O)(C(=O)[O-])O |
| InChIKey | QPBABLLRUHPDBL-UHFFFAOYSA-N |
Product Overview
RefChem:301175 (CAS 40680-76-0), with molecular formula C27H33NO10 and molecular weight 531.21 g/mol. IUPAC: 1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:301175
Property Insights of RefChem:301175
The XLogP value of 0.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:301175. The TPSA of 152.0 Ų indicates high polarity, suggesting RefChem:301175 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:301175 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:301175?
The CAS number of RefChem:301175 is 40680-76-0.
What is the molecular formula of RefChem:301175?
The molecular formula of RefChem:301175 is C27H33NO10.
What is the molecular weight of RefChem:301175?
The molecular weight of RefChem:301175 is 531.21 g/mol.
Where can I buy RefChem:301175?
You can request a quote for RefChem:301175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301175?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.