2-(p-Nitrobenzylidene)cyclohexanone
TL;DR: 2-(p-Nitrobenzylidene)cyclohexanone (CAS 56484-15-2) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-nitrophenyl)methylidene]cyclohexan-1-one
Also Known As: 2-(4-nitrobenzylidene)cyclohexanone, NIOSH/GW1887500, 2-(p-Nitrobenzylidene)cyclohexanone, Cyclohexanone, 2-(p-nitrobenzylidene)-, (E)-2-(4-nitrobenzylidene)cyclohexanone
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 3.1213 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 473.94287 |
Chemical Identifiers
| CAS Number | 56484-15-2 |
|---|---|
| SMILES | C1CCC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C1 |
Product Overview
2-(p-Nitrobenzylidene)cyclohexanone (CAS 56484-15-2), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: (2E)-2-[(4-nitrophenyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 2-(p-Nitrobenzylidene)cyclohexanone
Property Insights of 2-(p-Nitrobenzylidene)cyclohexanone
The XLogP value of 3.1213 indicates that 2-(p-Nitrobenzylidene)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(p-Nitrobenzylidene)cyclohexanone. Following Lipinski's Rule of Five, 2-(p-Nitrobenzylidene)cyclohexanone 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 2-(p-Nitrobenzylidene)cyclohexanone?
The CAS number of 2-(p-Nitrobenzylidene)cyclohexanone is 56484-15-2.
What is the molecular formula of 2-(p-Nitrobenzylidene)cyclohexanone?
The molecular formula of 2-(p-Nitrobenzylidene)cyclohexanone is C13H13NO3.
What is the molecular weight of 2-(p-Nitrobenzylidene)cyclohexanone?
The molecular weight of 2-(p-Nitrobenzylidene)cyclohexanone is 231.09 g/mol.
Where can I buy 2-(p-Nitrobenzylidene)cyclohexanone?
You can request a quote for 2-(p-Nitrobenzylidene)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(p-Nitrobenzylidene)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-Nitrobenzylidene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.