RefChem:276892
TL;DR: RefChem:276892 (CAS 76410-43-0) is a chemical compound with molecular formula C23H28ClNO5 and molecular weight 433.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
Also Known As: 3-Benzofurancarboxylic acid, 5-(2-hydroxy-3-(isopropylamino)propoxy)-2-phenyl-, ethyl ester, hydrochloride, 5-(2-Hydroxy-3-(isopropylamino)propoxy)-2-phenyl-3-benzofurancarboxylic acid ethyl ester HCl, [3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium chloride, 3-BENZOFURANCARBOXYLIC ACID, 5-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-2-PHENYL-,, RefChem:276892
| Molecular Formula | C23H28ClNO5 |
|---|---|
| Molecular Weight | 433.17 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 433.1656 |
| Heavy Atoms | 30 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 76410-43-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH2+]C(C)C)O)C3=CC=CC=C3.[Cl-] |
| InChIKey | IAENDNHRIUZOAV-UHFFFAOYSA-N |
Product Overview
RefChem:276892 (CAS 76410-43-0), with molecular formula C23H28ClNO5 and molecular weight 433.17 g/mol. IUPAC: [3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium chloride.
Chemical Property Profile of RefChem:276892
Property Insights of RefChem:276892
The XLogP value of -0.01 indicates that RefChem:276892 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:276892. Following Lipinski's Rule of Five, RefChem:276892 has 2 hydrogen bond donor(s) and 6 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:276892?
The CAS number of RefChem:276892 is 76410-43-0.
What is the molecular formula of RefChem:276892?
The molecular formula of RefChem:276892 is C23H28ClNO5.
What is the molecular weight of RefChem:276892?
The molecular weight of RefChem:276892 is 433.17 g/mol.
Where can I buy RefChem:276892?
You can request a quote for RefChem:276892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276892?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.