Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl
TL;DR: Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl (CAS 39544-02-0) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-ethyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-4-yl]ethanone
Also Known As: 1-[2-ethyl-7-4-benzofuranyl]ethanone, 2-Ethyl-4-acetyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran, 1-[2-Ethyl-7- -4-benzofuranyl]ethanone, 1-(2-Ethyl-7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-benzofuranyl)ethanone, Ethanone, 1-(2-ethyl-7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-benzofuranyl)-
| Molecular Formula | C18H25NO4 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.17834 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 39544-02-0 |
|---|---|
| SMILES | CCC1=CC2=C(C=CC(=C2O1)OCC(CNC(C)C)O)C(=O)C |
| InChIKey | BRVULYXDWZNOSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl (CAS 39544-02-0), with molecular formula C18H25NO4 and molecular weight 319.18 g/mol. IUPAC: 1-[2-ethyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-4-yl]ethanone.
Chemical Property Profile of Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl
Property Insights of Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl. Following Lipinski's Rule of Five, Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl has 2 hydrogen bond donor(s) and 5 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 Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl?
The CAS number of Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl is 39544-02-0.
What is the molecular formula of Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl?
The molecular formula of Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl is C18H25NO4.
What is the molecular weight of Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl?
The molecular weight of Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl is 319.18 g/mol.
Where can I buy Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl?
You can request a quote for Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.