2-((3-Nitrophenyl)amino)naphthalene-1,4-dione
TL;DR: 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione (CAS 3144-95-4) is a chemical compound with molecular formula C16H10N2O4 and molecular weight 294.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitroanilino)naphthalene-1,4-dione
Also Known As: 2-(3-nitroanilino)naphthalene-1,4-dione, KSC-293-072, J1.124.305C, 2-[(3-Nitrophenyl)amino]-1,4-naphthoquinone, 2-((3-nitrophenyl)amino)naphthalene-1,4-dione
| Molecular Formula | C16H10N2O4 |
|---|---|
| Molecular Weight | 294.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.06406 |
| Heavy Atoms | 22 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 3144-95-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | VIIZFHNFVPCNFM-UHFFFAOYSA-N |
Product Overview
2-((3-Nitrophenyl)amino)naphthalene-1,4-dione (CAS 3144-95-4), with molecular formula C16H10N2O4 and molecular weight 294.06 g/mol. IUPAC: 2-(3-nitroanilino)naphthalene-1,4-dione.
Chemical Property Profile of 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione
Property Insights of 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-((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
Frequently Asked Questions
What is the CAS number of 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione?
The CAS number of 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione is 3144-95-4.
What is the molecular formula of 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione?
The molecular formula of 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione is C16H10N2O4.
What is the molecular weight of 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione?
The molecular weight of 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione is 294.06 g/mol.
Where can I buy 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione?
You can request a quote for 2-((3-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-((3-Nitrophenyl)amino)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Nitrophenyl)amino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.