2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione
TL;DR: 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione (CAS 351062-54-9) is a chemical compound with molecular formula C17H11ClN2O4 and molecular weight 342.04074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-(4-methyl-3-nitroanilino)naphthalene-1,4-dione
Also Known As: J2.204.294G, 2-chloro-3-(4-methyl-3-nitroanilino)naphthalene-1,4-dione, 2-Chloro-3-(3-nitro-4-methylanilino)naphthalene-1,4-dione, 2-chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione, 2-chloro-3-[(4-methyl-3-nitrophenyl)amino]naphthalene-1,4-dione
Technical Specifications
| Molecular Formula | C17H11ClN2O4 |
| Molecular Weight | 342.04074 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.04074 Da |
| Heavy Atoms | 24 |
| Complexity | 598.0 |
| SMILES | CC1=C(C=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)[N+](=O)[O-] |
| InChIKey | BZFFWJSICIMBOC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione
Property Insights of 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione
The XLogP value of 4.2 indicates that 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione is 351062-54-9.
What is the molecular formula of 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione is C17H11ClN2O4.
What is the molecular weight of 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione is 342.04074 g/mol.
Where can I buy 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-3-((4-methyl-3-nitrophenyl)amino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.