4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-
TL;DR: 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro- (CAS 56287-73-1) is a chemical compound with molecular formula C16H12FN3O3 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(fluoromethyl)-3-(2-methylphenyl)-6-nitroquinazolin-4-one
Also Known As: Afloqualone Nitro Impurity, 2-(Fluoromethyl)-6-nitro-3-(o-tolyl)quinazolin-4(3H)-one, 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitroquinazolin-4-one, 1-p-Tolylcyclopentanecarbonylchloride
| Molecular Formula | C16H12FN3O3 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.08627 |
| Heavy Atoms | 23 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 56287-73-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CF |
| InChIKey | YLWBZTIVGRUKCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro- (CAS 56287-73-1), with molecular formula C16H12FN3O3 and molecular weight 313.09 g/mol. IUPAC: 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitroquinazolin-4-one.
Chemical Property Profile of 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-
Property Insights of 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-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 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-?
The CAS number of 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro- is 56287-73-1.
What is the molecular formula of 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-?
The molecular formula of 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro- is C16H12FN3O3.
What is the molecular weight of 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-?
The molecular weight of 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro- is 313.09 g/mol.
Where can I buy 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-?
You can request a quote for 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.