![5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione structure](/static/products/372/372083-72-2.png)
5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione
TL;DR: 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione (CAS 372083-72-2) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-[2-(2-nitrophenyl)acetyl]cyclohexane-1,3-dione
Also Known As: AH-034/32473063, 2-({2-nitrophenyl}acetyl)-5,5-dimethyl-1,3-cyclohexanedione, 5,5-dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione, 5,5-dimethyl-2-(2-(2-nitrophenyl)acetyl)cyclohexane-1,3-dione, 5,5-Dimethyl-2-[2-(2-nitro-phenyl)-acetyl]-cyclohexane-1,3-dione
| Molecular Formula | C16H17NO5 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 2.2808 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.1107 |
| Heavy Atoms | 22 |
| Complexity | 642.25494 |
Chemical Identifiers
| CAS Number | 372083-72-2 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])C |
Product Overview
5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione (CAS 372083-72-2), with molecular formula C16H17NO5 and molecular weight 303.11 g/mol. IUPAC: 5,5-dimethyl-2-[2-(2-nitrophenyl)acetyl]cyclohexane-1,3-dione.
Chemical Property Profile of 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione
Property Insights of 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione
The XLogP value of 2.2808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]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 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione?
The CAS number of 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione is 372083-72-2.
What is the molecular formula of 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione?
The molecular formula of 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione is C16H17NO5.
What is the molecular weight of 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione?
The molecular weight of 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione is 303.11 g/mol.
Where can I buy 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione?
You can request a quote for 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]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 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-[(2-nitrophenyl)acetyl]cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.