4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one
TL;DR: 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one (CAS 680992-74-9) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethylanilino)-3-nitrochromen-2-one
Also Known As: 4-(2,4-dimethylanilino)-3-nitrochromen-2-one, 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one, (4E)-4-[(2,4-dimethylphenyl)imino]-3-nitro-4H-chromen-2-ol
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 4.06164 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 975.97955 |
Chemical Identifiers
| CAS Number | 680992-74-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])C |
Product Overview
4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one (CAS 680992-74-9), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: 4-(2,4-dimethylanilino)-3-nitrochromen-2-one.
Chemical Property Profile of 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one
Property Insights of 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one
The XLogP value of 4.06164 indicates that 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one 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 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one?
The CAS number of 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one is 680992-74-9.
What is the molecular formula of 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one?
The molecular formula of 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one is C17H14N2O4.
What is the molecular weight of 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one?
The molecular weight of 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one is 310.10 g/mol.
Where can I buy 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one?
You can request a quote for 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-dimethylphenyl)amino)-3-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.