5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one
TL;DR: 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one (CAS 61997-86-2) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one
Also Known As: 5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one, 5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one, 5,5-DIMETHYL-3-((3-NITROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE, 5,5-Dimethyl-3-((3-nitrophenyl)amino)cyclohex-2-enone, 2-Cyclohexen-1-one, 5,5-dimethyl-3-[(3-nitrophenyl)amino]-
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 3.2797 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 561.56445 |
Chemical Identifiers
| CAS Number | 61997-86-2 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one (CAS 61997-86-2), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one
Property Insights of 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one
The XLogP value of 3.2797 indicates that 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-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 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-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 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one?
The CAS number of 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one is 61997-86-2.
What is the molecular formula of 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one?
The molecular formula of 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one is C14H16N2O3.
What is the molecular weight of 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one?
The molecular weight of 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one is 260.12 g/mol.
Where can I buy 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one?
You can request a quote for 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-(3-nitroanilino)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.