Cyclohexanone, 2-(2-nitro-1-phenylethyl)-
TL;DR: Cyclohexanone, 2-(2-nitro-1-phenylethyl)- (CAS 4591-64-4) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitro-1-phenylethyl)cyclohexan-1-one
Also Known As: 3,5-Bis(ethoxycarbonyl)pyridine, 2-(2-nitro-1-phenylethyl)cyclohexan-1-one, Cyclohexanone, 2-(2-nitro-1-phenylethyl)-, 2-(1-Phenyl-2-nitroethyl)cyclohexanone, 2-(2-nitro-1-phenylethyl)cyclohexanone
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.8062 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 429.92505 |
Chemical Identifiers
| CAS Number | 4591-64-4 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC=CC=C2 |
Product Overview
Cyclohexanone, 2-(2-nitro-1-phenylethyl)- (CAS 4591-64-4), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 2-(2-nitro-1-phenylethyl)cyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 2-(2-nitro-1-phenylethyl)-
Property Insights of Cyclohexanone, 2-(2-nitro-1-phenylethyl)-
The XLogP value of 2.8062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 2-(2-nitro-1-phenylethyl)-. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanone, 2-(2-nitro-1-phenylethyl)-. Following Lipinski's Rule of Five, Cyclohexanone, 2-(2-nitro-1-phenylethyl)- has 0 hydrogen bond donor(s) and 3 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 Cyclohexanone, 2-(2-nitro-1-phenylethyl)-?
The CAS number of Cyclohexanone, 2-(2-nitro-1-phenylethyl)- is 4591-64-4.
What is the molecular formula of Cyclohexanone, 2-(2-nitro-1-phenylethyl)-?
The molecular formula of Cyclohexanone, 2-(2-nitro-1-phenylethyl)- is C14H17NO3.
What is the molecular weight of Cyclohexanone, 2-(2-nitro-1-phenylethyl)-?
The molecular weight of Cyclohexanone, 2-(2-nitro-1-phenylethyl)- is 247.12 g/mol.
Where can I buy Cyclohexanone, 2-(2-nitro-1-phenylethyl)-?
You can request a quote for Cyclohexanone, 2-(2-nitro-1-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 2-(2-nitro-1-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 2-(2-nitro-1-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.