4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone
TL;DR: 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone (CAS 309739-05-7) is a chemical compound with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)-1-methyl-3-nitroquinolin-2-one
Also Known As: ChemDiv1_028131, BAS 01060315, 4-(4-chloroanilino)-1-methyl-3-nitro-2-quinolinone, 4-(4-chloroanilino)-1-methyl-3-nitroquinolin-2-one, VU0605834-1
| Molecular Formula | C16H12ClN3O3 |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 3.8437 |
| Topological Polar Surface Area | 77.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.05673 |
| Heavy Atoms | 23 |
| Complexity | 964.70667 |
Chemical Identifiers
| CAS Number | 309739-05-7 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NC3=CC=C(C=C3)Cl |
Product Overview
4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone (CAS 309739-05-7), with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol. IUPAC: 4-(4-chloroanilino)-1-methyl-3-nitroquinolin-2-one.
Chemical Property Profile of 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone
Property Insights of 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone
The XLogP value of 3.8437 indicates that 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone. Following Lipinski's Rule of Five, 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone has 1 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 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone?
The CAS number of 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone is 309739-05-7.
What is the molecular formula of 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone?
The molecular formula of 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone is C16H12ClN3O3.
What is the molecular weight of 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone?
The molecular weight of 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone is 329.06 g/mol.
Where can I buy 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone?
You can request a quote for 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloroanilino)-1-methyl-3-nitro-2-quinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.