2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile
TL;DR: 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile (CAS 496037-22-0) is a chemical compound with molecular formula C19H12F3NO4 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile
Also Known As: 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile, VU0510193-1, AB00371257-02, AP-906/41883706, F3139-1156
| Molecular Formula | C19H12F3NO4 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 4.38978 |
| Topological Polar Surface Area | 72.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.07184 |
| Heavy Atoms | 27 |
| Complexity | 1096.7758 |
Chemical Identifiers
| CAS Number | 496037-22-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OCC#N)C(F)(F)F |
Product Overview
2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile (CAS 496037-22-0), with molecular formula C19H12F3NO4 and molecular weight 375.07 g/mol. IUPAC: 2-[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile.
Chemical Property Profile of 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile
Property Insights of 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile
The XLogP value of 4.38978 indicates that 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile. Following Lipinski's Rule of Five, 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile has 0 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 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
The CAS number of 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile is 496037-22-0.
What is the molecular formula of 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
The molecular formula of 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile is C19H12F3NO4.
What is the molecular weight of 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
The molecular weight of 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile is 375.07 g/mol.
Where can I buy 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
You can request a quote for 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.