5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione
TL;DR: 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione (CAS 1023558-91-9) is a chemical compound with molecular formula C15H15NO5 and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohexane-1,3-dione
Also Known As: 5-METHYL-2-(2-(4-NITROPHENYL)-2-OXOETHYL)CYCLOHEXANE-1,3-DIONE, 5-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohexane-1,3-dione, 5-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]cyclohexane-1,3-dione
| Molecular Formula | C15H15NO5 |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 2.3519 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.09503 |
| Heavy Atoms | 21 |
| Complexity | 586.99493 |
Chemical Identifiers
| CAS Number | 1023558-91-9 |
|---|---|
| SMILES | CC1CC(=O)C(C(=O)C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione (CAS 1023558-91-9), with molecular formula C15H15NO5 and molecular weight 289.10 g/mol. IUPAC: 5-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]cyclohexane-1,3-dione.
Chemical Property Profile of 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione
Property Insights of 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione
The XLogP value of 2.3519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione has 0 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 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione?
The CAS number of 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione is 1023558-91-9.
What is the molecular formula of 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione?
The molecular formula of 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione is C15H15NO5.
What is the molecular weight of 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione?
The molecular weight of 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione is 289.10 g/mol.
Where can I buy 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione?
You can request a quote for 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)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-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.