![3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one structure](/static/products/6966/696619-64-4.webp)
3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one
TL;DR: 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one (CAS 696619-64-4) is a chemical compound with molecular formula C12H11FN2O3 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluoro-3-nitroanilino)cyclohex-2-en-1-one
Also Known As: 3-[(4-fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one, 3-(4-fluoro-3-nitroanilino)cyclohex-2-en-1-one, 3-((4-Fluoro-3-nitrophenyl)amino)cyclohex-2-enone, 3-((4-Fluoro-3-nitrophenyl)amino)cyclohex-2-en-1-one, 2-cyclohexen-1-one, 3-[(4-fluoro-3-nitrophenyl)amino]-
| Molecular Formula | C12H11FN2O3 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.7827 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.07536 |
| Heavy Atoms | 18 |
| Complexity | 540.1241 |
Chemical Identifiers
| CAS Number | 696619-64-4 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)NC2=CC(=C(C=C2)F)[N+](=O)[O-] |
Product Overview
3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one (CAS 696619-64-4), with molecular formula C12H11FN2O3 and molecular weight 250.08 g/mol. IUPAC: 3-(4-fluoro-3-nitroanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one
Property Insights of 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one
The XLogP value of 2.7827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one. Following Lipinski's Rule of Five, 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one 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
Frequently Asked Questions
What is the CAS number of 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one?
The CAS number of 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one is 696619-64-4.
What is the molecular formula of 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one?
The molecular formula of 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one is C12H11FN2O3.
What is the molecular weight of 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one?
The molecular weight of 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one is 250.08 g/mol.
Where can I buy 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one?
You can request a quote for 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Fluoro-3-nitrophenyl)amino]cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.