3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
TL;DR: 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one (CAS 428841-50-3) is a chemical compound with molecular formula C21H16ClN3O3 and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
Also Known As: 3-(3-chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one, 3-(3-chloro-4-methylphenyl)-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C21H16ClN3O3 |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 5.32772 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.088 |
| Heavy Atoms | 28 |
| Complexity | 1099.7588 |
Chemical Identifiers
| CAS Number | 428841-50-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl |
Product Overview
3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one (CAS 428841-50-3), with molecular formula C21H16ClN3O3 and molecular weight 393.09 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
Property Insights of 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
The XLogP value of 5.32772 indicates that 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The CAS number of 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is 428841-50-3.
What is the molecular formula of 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The molecular formula of 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is C21H16ClN3O3.
What is the molecular weight of 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The molecular weight of 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is 393.09 g/mol.
Where can I buy 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
You can request a quote for 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.