3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate
TL;DR: 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate (CAS 905014-92-8) is a chemical compound with molecular formula C23H22FNO5 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-4,7-dimethyl-2-oxochromen-5-yl] acetate
Also Known As: 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate, [3-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-4,7-dimethyl-2-oxochromen-5-yl] acetate, 3-(2-{[2-(2-fluorophenyl)ethyl]amino}-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate
| Molecular Formula | C23H22FNO5 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 3.37564 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1482 |
| Heavy Atoms | 30 |
| Complexity | 1182.1624 |
Chemical Identifiers
| CAS Number | 905014-92-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCC3=CC=CC=C3F)C)C(=C1)OC(=O)C |
Product Overview
3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate (CAS 905014-92-8), with molecular formula C23H22FNO5 and molecular weight 411.15 g/mol. IUPAC: [3-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-4,7-dimethyl-2-oxochromen-5-yl] acetate.
Chemical Property Profile of 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate
Property Insights of 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate
The XLogP value of 3.37564 indicates that 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate. Following Lipinski's Rule of Five, 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate has 1 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 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate?
The CAS number of 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate is 905014-92-8.
What is the molecular formula of 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate?
The molecular formula of 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate is C23H22FNO5.
What is the molecular weight of 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate?
The molecular weight of 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate is 411.15 g/mol.
Where can I buy 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate?
You can request a quote for 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-((2-fluorophenethyl)amino)-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.