2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile
TL;DR: 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile (CAS 847044-98-8) is a chemical compound with molecular formula C18H12BrNO4 and molecular weight 384.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetonitrile
Also Known As: IBS_STOCK4S-64888, 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile, 2-{[3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetonitrile, 3-Pyridinecarbonitrile,5-bromo-2-chloro-6-methyl, F3385-0982
| Molecular Formula | C18H12BrNO4 |
|---|---|
| Molecular Weight | 384.99 g/mol |
| LogP | 4.5586 |
| Topological Polar Surface Area | 72.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.99496 |
| Heavy Atoms | 24 |
| Complexity | 1004.0519 |
Chemical Identifiers
| CAS Number | 847044-98-8 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC#N)OC3=CC=CC=C3Br |
Product Overview
2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile (CAS 847044-98-8), with molecular formula C18H12BrNO4 and molecular weight 384.99 g/mol. IUPAC: 2-[3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetonitrile.
Chemical Property Profile of 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile
Property Insights of 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile
The XLogP value of 4.5586 indicates that 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-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-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile. Following Lipinski's Rule of Five, 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-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-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
The CAS number of 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile is 847044-98-8.
What is the molecular formula of 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
The molecular formula of 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile is C18H12BrNO4.
What is the molecular weight of 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
The molecular weight of 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile is 384.99 g/mol.
Where can I buy 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
You can request a quote for 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-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-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.