2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile
TL;DR: 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile (CAS 847270-49-9) is a chemical compound with molecular formula C18H9BrF3NO3 and molecular weight 422.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile
Also Known As: AB01289312-01, 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile, 2-[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile, F3385-1104, 2-{[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetonitrile
| Molecular Formula | C18H9BrF3NO3 |
|---|---|
| Molecular Weight | 422.97 g/mol |
| LogP | 5.14368 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.9718 |
| Heavy Atoms | 26 |
| Complexity | 1066.4523 |
Chemical Identifiers
| CAS Number | 847270-49-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OCC#N)C(F)(F)F)Br |
Product Overview
2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile (CAS 847270-49-9), with molecular formula C18H9BrF3NO3 and molecular weight 422.97 g/mol. IUPAC: 2-[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile.
Chemical Property Profile of 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile
Property Insights of 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile
The XLogP value of 5.14368 indicates that 2-((3-(4-bromophenyl)-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 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile. Following Lipinski's Rule of Five, 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
The CAS number of 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile is 847270-49-9.
What is the molecular formula of 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
The molecular formula of 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile is C18H9BrF3NO3.
What is the molecular weight of 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
The molecular weight of 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile is 422.97 g/mol.
Where can I buy 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
You can request a quote for 2-((3-(4-bromophenyl)-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-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.