tert-Butyl p-nitroperbenzoate
TL;DR: tert-Butyl p-nitroperbenzoate (CAS 16166-61-3) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-nitrobenzenecarboperoxoate
Also Known As: tert-Butyl p-nitroperbenzoate, t-butyl p-nitrobenzoperoxoate, tert-Butyl p-nitroperoxybenzoate, tert-butyl 4-nitrobenzenecarboperoxoate, Peroxybenzoic acid, tert-butyl ester
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 16166-61-3 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QWTWJIZWUSGKIS-UHFFFAOYSA-N |
Product Overview
tert-Butyl p-nitroperbenzoate (CAS 16166-61-3), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: tert-butyl 4-nitrobenzenecarboperoxoate.
Chemical Property Profile of tert-Butyl p-nitroperbenzoate
Property Insights of tert-Butyl p-nitroperbenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl p-nitroperbenzoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl p-nitroperbenzoate. Following Lipinski's Rule of Five, tert-Butyl p-nitroperbenzoate 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 tert-Butyl p-nitroperbenzoate?
The CAS number of tert-Butyl p-nitroperbenzoate is 16166-61-3.
What is the molecular formula of tert-Butyl p-nitroperbenzoate?
The molecular formula of tert-Butyl p-nitroperbenzoate is C11H13NO5.
What is the molecular weight of tert-Butyl p-nitroperbenzoate?
The molecular weight of tert-Butyl p-nitroperbenzoate is 239.08 g/mol.
Where can I buy tert-Butyl p-nitroperbenzoate?
You can request a quote for tert-Butyl p-nitroperbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl p-nitroperbenzoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl p-nitroperbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.