2-(p-Nitrobenzal)-cyclohexanone
TL;DR: 2-(p-Nitrobenzal)-cyclohexanone (CAS 56005-41-5) 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.
2-[(4-nitrophenyl)methylidene]cyclohexan-1-one
Also Known As: 2-(p-nitrobenzal)-cyclohexanone, NCI60_024896, 2-[(4-nitrophenyl)methylidene]cyclohexan-1-one, Cyclohexanone,2-[(4-nitrophenyl)methylene]-, (2E)-
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 56005-41-5 |
|---|---|
| SMILES | C1CCC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C1 |
| InChIKey | WKEXENOSHSPMMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(p-Nitrobenzal)-cyclohexanone (CAS 56005-41-5), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-[(4-nitrophenyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 2-(p-Nitrobenzal)-cyclohexanone
Property Insights of 2-(p-Nitrobenzal)-cyclohexanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(p-Nitrobenzal)-cyclohexanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(p-Nitrobenzal)-cyclohexanone. Following Lipinski's Rule of Five, 2-(p-Nitrobenzal)-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-Nitrobenzal)-cyclohexanone?
The CAS number of 2-(p-Nitrobenzal)-cyclohexanone is 56005-41-5.
What is the molecular formula of 2-(p-Nitrobenzal)-cyclohexanone?
The molecular formula of 2-(p-Nitrobenzal)-cyclohexanone is C13H13NO3.
What is the molecular weight of 2-(p-Nitrobenzal)-cyclohexanone?
The molecular weight of 2-(p-Nitrobenzal)-cyclohexanone is 231.09 g/mol.
Where can I buy 2-(p-Nitrobenzal)-cyclohexanone?
You can request a quote for 2-(p-Nitrobenzal)-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-Nitrobenzal)-cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-Nitrobenzal)-cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.