2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile
TL;DR: 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile (CAS 637747-85-4) is a chemical compound with molecular formula C17H10ClNO3 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetonitrile
Also Known As: 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile, VU0510091-1, 2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetonitrile, F3139-0700, 2-[3-(4-chlorophenyl)-4-oxochromen-7-yloxy]ethanenitrile
| Molecular Formula | C17H10ClNO3 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 4.01578 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0349 |
| Heavy Atoms | 22 |
| Complexity | 923.2723 |
Chemical Identifiers
| CAS Number | 637747-85-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OCC#N)Cl |
Product Overview
2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile (CAS 637747-85-4), with molecular formula C17H10ClNO3 and molecular weight 311.03 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetonitrile.
Chemical Property Profile of 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile
Property Insights of 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile
The XLogP value of 4.01578 indicates that 2-((3-(4-chlorophenyl)-4-oxo-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-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile. Following Lipinski's Rule of Five, 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile has 0 hydrogen bond donor(s) and 4 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-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
The CAS number of 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile is 637747-85-4.
What is the molecular formula of 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
The molecular formula of 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile is C17H10ClNO3.
What is the molecular weight of 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
The molecular weight of 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile is 311.03 g/mol.
Where can I buy 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
You can request a quote for 2-((3-(4-chlorophenyl)-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-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.