2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione
TL;DR: 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione (CAS 159765-34-1) is a chemical compound with molecular formula C17H12ClNO3 and molecular weight 313.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloroanilino)-3-methoxynaphthalene-1,4-dione
Also Known As: 2-(4-chloroanilino)-3-methoxynaphthalene-1,4-dione, 2-((4-chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione, 2-[(4-chlorophenyl)amino]-3-methoxynaphthalene-1,4-dione
Technical Specifications
| Molecular Formula | C17H12ClNO3 |
| Molecular Weight | 313.05057 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.05057 Da |
| Heavy Atoms | 22 |
| Complexity | 494.0 |
| SMILES | COC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)Cl |
| InChIKey | MNSXDQREFQTERG-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione
Property Insights of 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione
The XLogP value of 4.1 indicates that 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione 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
What is the CAS number of 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione?
The CAS number of 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione is 159765-34-1.
What is the molecular formula of 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione?
The molecular formula of 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione is C17H12ClNO3.
What is the molecular weight of 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione?
The molecular weight of 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione is 313.05057 g/mol.
Where can I buy 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione?
You can request a quote for 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.