![2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile structure](/static/products/4960/496037-24-2.webp)
2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile
TL;DR: 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile (CAS 496037-24-2) is a chemical compound with molecular formula C18H13NO5 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetonitrile
Also Known As: VU0509168-1, AB01307856-01, 2-((3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl)oxy)acetonitrile, 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetonitrile, 2-{[3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetonitrile
| Molecular Formula | C18H13NO5 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 3.49628 |
| Topological Polar Surface Area | 81.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.07938 |
| Heavy Atoms | 24 |
| Complexity | 953.79047 |
Chemical Identifiers
| CAS Number | 496037-24-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC#N |
Product Overview
2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile (CAS 496037-24-2), with molecular formula C18H13NO5 and molecular weight 323.08 g/mol. IUPAC: 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetonitrile.
Chemical Property Profile of 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile
Property Insights of 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile
The XLogP value of 3.49628 indicates that 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile. Following Lipinski's Rule of Five, 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile has 0 hydrogen bond donor(s) and 6 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-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile?
The CAS number of 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile is 496037-24-2.
What is the molecular formula of 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile?
The molecular formula of 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile is C18H13NO5.
What is the molecular weight of 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile?
The molecular weight of 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile is 323.08 g/mol.
Where can I buy 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile?
You can request a quote for 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-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-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.