cyclopentanone O-{4-nitrobenzoyl}oxime
TL;DR: cyclopentanone O-{4-nitrobenzoyl}oxime (CAS 311797-96-3) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(cyclopentylideneamino) 4-nitrobenzoate
Also Known As: cyclopentanone O-{4-nitrobenzoyl}oxime, (cyclopentylideneamino) 4-nitrobenzoate, cyclopentanone O-(4-nitrobenzoyl)oxime, cyclopentylideneazamethyl 4-nitrobenzoate, CYCLOPENTYLIDENEAMINO 4-NITROBENZOATE
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 311797-96-3 |
|---|---|
| SMILES | C1CCC(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C1 |
| InChIKey | LPXFEFAZBDJSGT-UHFFFAOYSA-N |
Product Overview
cyclopentanone O-{4-nitrobenzoyl}oxime (CAS 311797-96-3), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: (cyclopentylideneamino) 4-nitrobenzoate.
Chemical Property Profile of cyclopentanone O-{4-nitrobenzoyl}oxime
Property Insights of cyclopentanone O-{4-nitrobenzoyl}oxime
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclopentanone O-{4-nitrobenzoyl}oxime. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for cyclopentanone O-{4-nitrobenzoyl}oxime. Following Lipinski's Rule of Five, cyclopentanone 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 cyclopentanone O-{4-nitrobenzoyl}oxime?
The CAS number of cyclopentanone O-{4-nitrobenzoyl}oxime is 311797-96-3.
What is the molecular formula of cyclopentanone O-{4-nitrobenzoyl}oxime?
The molecular formula of cyclopentanone O-{4-nitrobenzoyl}oxime is C12H12N2O4.
What is the molecular weight of cyclopentanone O-{4-nitrobenzoyl}oxime?
The molecular weight of cyclopentanone O-{4-nitrobenzoyl}oxime is 248.08 g/mol.
Where can I buy cyclopentanone O-{4-nitrobenzoyl}oxime?
You can request a quote for cyclopentanone 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 cyclopentanone O-{4-nitrobenzoyl}oxime?
Yes, KEHONG BIO provides custom synthesis services for cyclopentanone O-{4-nitrobenzoyl}oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.