3-(4-Benzoylphenoxy)phthalonitrile
TL;DR: 3-(4-Benzoylphenoxy)phthalonitrile (CAS 354533-74-7) is a chemical compound with molecular formula C21H12N2O2 and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzoylphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 3-(4-benzoylphenoxy)phthalonitrile, (4-benzoyl)phenoxyphthalonitrile, 3-(4-benzoylphenoxy)benzene-1,2-dicarbonitrile, AB01321032-02, 3-[4-(phenylcarbonyl)phenoxy]benzene-1,2-dicarbonitrile
| Molecular Formula | C21H12N2O2 |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 4.45326 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.08987 |
| Heavy Atoms | 25 |
| Complexity | 994.80634 |
Chemical Identifiers
| CAS Number | 354533-74-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC(=C3C#N)C#N |
Product Overview
3-(4-Benzoylphenoxy)phthalonitrile (CAS 354533-74-7), with molecular formula C21H12N2O2 and molecular weight 324.09 g/mol. IUPAC: 3-(4-benzoylphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 3-(4-Benzoylphenoxy)phthalonitrile
Property Insights of 3-(4-Benzoylphenoxy)phthalonitrile
The XLogP value of 4.45326 indicates that 3-(4-Benzoylphenoxy)phthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Benzoylphenoxy)phthalonitrile. Following Lipinski's Rule of Five, 3-(4-Benzoylphenoxy)phthalonitrile 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 3-(4-Benzoylphenoxy)phthalonitrile?
The CAS number of 3-(4-Benzoylphenoxy)phthalonitrile is 354533-74-7.
What is the molecular formula of 3-(4-Benzoylphenoxy)phthalonitrile?
The molecular formula of 3-(4-Benzoylphenoxy)phthalonitrile is C21H12N2O2.
What is the molecular weight of 3-(4-Benzoylphenoxy)phthalonitrile?
The molecular weight of 3-(4-Benzoylphenoxy)phthalonitrile is 324.09 g/mol.
Where can I buy 3-(4-Benzoylphenoxy)phthalonitrile?
You can request a quote for 3-(4-Benzoylphenoxy)phthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Benzoylphenoxy)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Benzoylphenoxy)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.