RefChem:256361
TL;DR: RefChem:256361 (CAS 112489-23-3) is a chemical compound with molecular formula C27H28O9 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-4-yl)oxy]-2-hydroxypropoxy]-3-methyl-1-benzofuran-2-carboxylate
Also Known As: 1,3-Bis(2-carbethoxy-3-methylbenzofuranyl-4-oxy)-2-propanol, 2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, diethyl ester, 4,4'-(2-Hydroxytrimethylenedioxy)bis(3-methyl-2-benzofurancarboxylic acid) diethyl ester, Diethyl 4,4'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(3-methyl-1-benzofuran-2-carboxylate), ethyl 4-[3-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-4-yl)oxy]-2-hydroxypropoxy]-3-methyl-1-benzofuran-2-carboxylate
| Molecular Formula | C27H28O9 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 4.96794 |
| Topological Polar Surface Area | 117.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.17334 |
| Heavy Atoms | 36 |
| Complexity | 1289.5228 |
Chemical Identifiers
| CAS Number | 112489-23-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=C(O4)C(=O)OCC)C)O)C |
Product Overview
RefChem:256361 (CAS 112489-23-3), with molecular formula C27H28O9 and molecular weight 496.17 g/mol. IUPAC: ethyl 4-[3-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-4-yl)oxy]-2-hydroxypropoxy]-3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of RefChem:256361
Property Insights of RefChem:256361
The XLogP value of 4.96794 indicates that RefChem:256361 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.57 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:256361. Following Lipinski's Rule of Five, RefChem:256361 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:256361?
The CAS number of RefChem:256361 is 112489-23-3.
What is the molecular formula of RefChem:256361?
The molecular formula of RefChem:256361 is C27H28O9.
What is the molecular weight of RefChem:256361?
The molecular weight of RefChem:256361 is 496.17 g/mol.
Where can I buy RefChem:256361?
You can request a quote for RefChem:256361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:256361?
Yes, KEHONG BIO provides custom synthesis services for RefChem:256361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.