5-(4-Nitrophenyl)cyclohexane-1,3-dione
TL;DR: 5-(4-Nitrophenyl)cyclohexane-1,3-dione (CAS 55579-75-4) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)cyclohexane-1,3-dione
Also Known As: 5-(4-nitrophenyl)cyclohexane-1,3-dione, 5-(4-Nitrophenyl)-1,3-cyclohexanedione, 1,3-Cyclohexanedione, 5-(4-nitrophenyl)-, 1,3-Cyclohexanedione, 5-[4-nitrophenyl]-, 5-(4-nitro-phenyl)-cyclohexane-1,3-dione
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 55579-75-4 |
|---|---|
| SMILES | C1C(CC(=O)CC1=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LQMGHIOOSOQCQA-UHFFFAOYSA-N |
Product Overview
5-(4-Nitrophenyl)cyclohexane-1,3-dione (CAS 55579-75-4), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 5-(4-nitrophenyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(4-Nitrophenyl)cyclohexane-1,3-dione
Property Insights of 5-(4-Nitrophenyl)cyclohexane-1,3-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Nitrophenyl)cyclohexane-1,3-dione. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Nitrophenyl)cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 5-(4-Nitrophenyl)cyclohexane-1,3-dione has 0 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-(4-Nitrophenyl)cyclohexane-1,3-dione?
The CAS number of 5-(4-Nitrophenyl)cyclohexane-1,3-dione is 55579-75-4.
What is the molecular formula of 5-(4-Nitrophenyl)cyclohexane-1,3-dione?
The molecular formula of 5-(4-Nitrophenyl)cyclohexane-1,3-dione is C12H11NO4.
What is the molecular weight of 5-(4-Nitrophenyl)cyclohexane-1,3-dione?
The molecular weight of 5-(4-Nitrophenyl)cyclohexane-1,3-dione is 233.07 g/mol.
Where can I buy 5-(4-Nitrophenyl)cyclohexane-1,3-dione?
You can request a quote for 5-(4-Nitrophenyl)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Nitrophenyl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Nitrophenyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.