Cyclohexanone O-(4-nitrobenzoyl)oxime
TL;DR: Cyclohexanone O-(4-nitrobenzoyl)oxime (CAS 100796-02-9) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(cyclohexylideneamino) 4-nitrobenzoate
Also Known As: Cyclohexanone O-(4-nitrobenzoyl)oxime, (cyclohexylideneamino) 4-nitrobenzoate, cyclohexylideneazamethyl 4-nitrobenzoate, CYCLOHEXYLIDENEAMINO 4-NITROBENZOATE, J3.363.579F
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 100796-02-9 |
|---|---|
| SMILES | C1CCC(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC1 |
| InChIKey | GUMIWXNLHNLOLQ-UHFFFAOYSA-N |
Product Overview
Cyclohexanone O-(4-nitrobenzoyl)oxime (CAS 100796-02-9), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: (cyclohexylideneamino) 4-nitrobenzoate.
Chemical Property Profile of Cyclohexanone O-(4-nitrobenzoyl)oxime
Property Insights of Cyclohexanone O-(4-nitrobenzoyl)oxime
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone O-(4-nitrobenzoyl)oxime. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanone O-(4-nitrobenzoyl)oxime. Following Lipinski's Rule of Five, Cyclohexanone O-(4-nitrobenzoyl)oxime 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 Cyclohexanone O-(4-nitrobenzoyl)oxime?
The CAS number of Cyclohexanone O-(4-nitrobenzoyl)oxime is 100796-02-9.
What is the molecular formula of Cyclohexanone O-(4-nitrobenzoyl)oxime?
The molecular formula of Cyclohexanone O-(4-nitrobenzoyl)oxime is C13H14N2O4.
What is the molecular weight of Cyclohexanone O-(4-nitrobenzoyl)oxime?
The molecular weight of Cyclohexanone O-(4-nitrobenzoyl)oxime is 262.10 g/mol.
Where can I buy Cyclohexanone O-(4-nitrobenzoyl)oxime?
You can request a quote for Cyclohexanone O-(4-nitrobenzoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone O-(4-nitrobenzoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone O-(4-nitrobenzoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.