![2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione structure](/static/products/7511/75112-66-2.webp)
2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione
TL;DR: 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione (CAS 75112-66-2) is a chemical compound with molecular formula C16H9ClN2O4 and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(4-nitroanilino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(4-nitroanilino)naphthalene-1,4-dione, 2-chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione, 2-chloro-3-(4-nitroanilino)naphthoquinone, J2.204.297A, 2-(4-nitroanilino)-3-chloro-1,4-naphthoquinone
| Molecular Formula | C16H9ClN2O4 |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.0251 |
| Heavy Atoms | 23 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 75112-66-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | WQJPTKXOYCBASA-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione (CAS 75112-66-2), with molecular formula C16H9ClN2O4 and molecular weight 328.03 g/mol. IUPAC: 2-chloro-3-(4-nitroanilino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione
Property Insights of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione
The XLogP value of 3.0 indicates that 2-Chloro-3-[(4-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-nitrophenyl)amino]naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Chloro-3-[(4-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
Frequently Asked Questions
What is the CAS number of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione is 75112-66-2.
What is the molecular formula of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione is C16H9ClN2O4.
What is the molecular weight of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione is 328.03 g/mol.
Where can I buy 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.