![2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione structure](/static/products/3219/321979-54-8.webp)
2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione (CAS 321979-54-8) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-[1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.6299 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 600.37585 |
Chemical Identifiers
| CAS Number | 321979-54-8 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)OC)C |
Product Overview
2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione (CAS 321979-54-8), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: 2-[1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 2.6299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione. Following Lipinski's Rule of Five, 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-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 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione is 321979-54-8.
What is the molecular formula of 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione is C17H21NO5.
What is the molecular weight of 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione is 319.14 g/mol.
Where can I buy 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-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 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-Methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.