N-t-butyl-alpha-(4-nitrophenyl)nitrone
TL;DR: N-t-butyl-alpha-(4-nitrophenyl)nitrone (CAS 3585-88-4) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-(4-nitrophenyl)methanimine oxide
Also Known As: n-tert-Pbn, N-t-butyl-alpha-(4-nitrophenyl)nitrone, N-Tert-butyl-alpha-(4-nitrophenyl)nitrone, N-tert-butyl-1-(4-nitrophenyl)methanimine oxide
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 3585-88-4 |
|---|---|
| SMILES | CC(C)(C)[N+](=CC1=CC=C(C=C1)[N+](=O)[O-])[O-] |
| InChIKey | PITQLPMGJWCDRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-t-butyl-alpha-(4-nitrophenyl)nitrone (CAS 3585-88-4), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: N-tert-butyl-1-(4-nitrophenyl)methanimine oxide.
Chemical Property Profile of N-t-butyl-alpha-(4-nitrophenyl)nitrone
Property Insights of N-t-butyl-alpha-(4-nitrophenyl)nitrone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-t-butyl-alpha-(4-nitrophenyl)nitrone. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-t-butyl-alpha-(4-nitrophenyl)nitrone. Following Lipinski's Rule of Five, N-t-butyl-alpha-(4-nitrophenyl)nitrone 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 N-t-butyl-alpha-(4-nitrophenyl)nitrone?
The CAS number of N-t-butyl-alpha-(4-nitrophenyl)nitrone is 3585-88-4.
What is the molecular formula of N-t-butyl-alpha-(4-nitrophenyl)nitrone?
The molecular formula of N-t-butyl-alpha-(4-nitrophenyl)nitrone is C11H14N2O3.
What is the molecular weight of N-t-butyl-alpha-(4-nitrophenyl)nitrone?
The molecular weight of N-t-butyl-alpha-(4-nitrophenyl)nitrone is 222.10 g/mol.
Where can I buy N-t-butyl-alpha-(4-nitrophenyl)nitrone?
You can request a quote for N-t-butyl-alpha-(4-nitrophenyl)nitrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-t-butyl-alpha-(4-nitrophenyl)nitrone?
Yes, KEHONG BIO provides custom synthesis services for N-t-butyl-alpha-(4-nitrophenyl)nitrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.