3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one
TL;DR: 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one (CAS 908082-62-2) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxy-4-nitroanilino)cyclohex-2-en-1-one
Also Known As: 3-(2-methoxy-4-nitroanilino)cyclohex-2-en-1-one, NCI60_041044, 3-((2-METHOXY-4-NITROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE, 3-[(2-methoxy-4-nitrophenyl)amino]cyclohex-2-en-1-one, 3-(2-methoxy-4-nitro-anilino)cyclohex-2-en-1-one
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 908082-62-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=O)CCC2 |
| InChIKey | BDUBYPQFPJUIKW-UHFFFAOYSA-N |
Product Overview
3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one (CAS 908082-62-2), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 3-(2-methoxy-4-nitroanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one
Property Insights of 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one. Following Lipinski's Rule of Five, 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-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 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one?
The CAS number of 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one is 908082-62-2.
What is the molecular formula of 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one?
The molecular formula of 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one is C13H14N2O4.
What is the molecular weight of 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one?
The molecular weight of 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one is 262.10 g/mol.
Where can I buy 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one?
You can request a quote for 3-((2-Methoxy-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 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.