Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-
TL;DR: Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- (CAS 78940-72-4) is a chemical compound with molecular formula C20H12N2O4 and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzoylphenoxy)-5-nitrobenzonitrile
Also Known As: Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-, 2-(4-benzoylphenoxy)-5-nitrobenzonitrile, 2-(4-benzoylphenoxy)-5-nitro-benzonitrile, 2-[4-(benzoyl)phenoxy]-5-nitrobenzonitrile
| Molecular Formula | C20H12N2O4 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0797 |
| Heavy Atoms | 26 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 78940-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C#N |
| InChIKey | UADJBVXFKQEJMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- (CAS 78940-72-4), with molecular formula C20H12N2O4 and molecular weight 344.08 g/mol. IUPAC: 2-(4-benzoylphenoxy)-5-nitrobenzonitrile.
Chemical Property Profile of Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-
Property Insights of Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-
The XLogP value of 4.3 indicates that Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-. Following Lipinski's Rule of Five, Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- 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 Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-?
The CAS number of Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- is 78940-72-4.
What is the molecular formula of Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-?
The molecular formula of Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- is C20H12N2O4.
What is the molecular weight of Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-?
The molecular weight of Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- is 344.08 g/mol.
Where can I buy Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-?
You can request a quote for Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.