2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one
TL;DR: 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one (CAS 1022597-48-3) is a chemical compound with molecular formula C12H11ClN2O3 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(4-nitroanilino)cyclohex-2-en-1-one
Also Known As: 2-CHLORO-3-((4-NITROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE, 2-chloro-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one, 2-chloro-3-(4-nitroanilino)cyclohex-2-en-1-one
| Molecular Formula | C12H11ClN2O3 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 3.2101 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0458 |
| Heavy Atoms | 18 |
| Complexity | 522.62897 |
Chemical Identifiers
| CAS Number | 1022597-48-3 |
|---|---|
| SMILES | C1CC(=C(C(=O)C1)Cl)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one (CAS 1022597-48-3), with molecular formula C12H11ClN2O3 and molecular weight 266.05 g/mol. IUPAC: 2-chloro-3-(4-nitroanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one
Property Insights of 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one
The XLogP value of 3.2101 indicates that 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one. Following Lipinski's Rule of Five, 2-Chloro-3-((4-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 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one?
The CAS number of 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one is 1022597-48-3.
What is the molecular formula of 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one?
The molecular formula of 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one is C12H11ClN2O3.
What is the molecular weight of 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one?
The molecular weight of 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one is 266.05 g/mol.
Where can I buy 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one?
You can request a quote for 2-Chloro-3-((4-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 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-((4-nitrophenyl)amino)cyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.