alpha-(4-cyanophenyl)-N-t-butylnitrone
TL;DR: alpha-(4-cyanophenyl)-N-t-butylnitrone (CAS 67036-01-5) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-(4-cyanophenyl)methanimine oxide
Also Known As: alpha-(4-cyanophenyl)-N-t-butylnitrone, N-tert-butyl-1-(4-cyanophenyl)methanimine oxide, (4-cyanophenyl)methylidene-oxido-tert-butyl-azanium
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 67036-01-5 |
|---|---|
| SMILES | CC(C)(C)[N+](=CC1=CC=C(C=C1)C#N)[O-] |
| InChIKey | GVRKCEPOOHMSGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(4-cyanophenyl)-N-t-butylnitrone (CAS 67036-01-5), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: N-tert-butyl-1-(4-cyanophenyl)methanimine oxide.
Chemical Property Profile of alpha-(4-cyanophenyl)-N-t-butylnitrone
Property Insights of alpha-(4-cyanophenyl)-N-t-butylnitrone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(4-cyanophenyl)-N-t-butylnitrone. With a topological polar surface area (TPSA) of 52.5 Ų, alpha-(4-cyanophenyl)-N-t-butylnitrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(4-cyanophenyl)-N-t-butylnitrone has 0 hydrogen bond donor(s) and 2 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 alpha-(4-cyanophenyl)-N-t-butylnitrone?
The CAS number of alpha-(4-cyanophenyl)-N-t-butylnitrone is 67036-01-5.
What is the molecular formula of alpha-(4-cyanophenyl)-N-t-butylnitrone?
The molecular formula of alpha-(4-cyanophenyl)-N-t-butylnitrone is C12H14N2O.
What is the molecular weight of alpha-(4-cyanophenyl)-N-t-butylnitrone?
The molecular weight of alpha-(4-cyanophenyl)-N-t-butylnitrone is 202.11 g/mol.
Where can I buy alpha-(4-cyanophenyl)-N-t-butylnitrone?
You can request a quote for alpha-(4-cyanophenyl)-N-t-butylnitrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(4-cyanophenyl)-N-t-butylnitrone?
Yes, KEHONG BIO provides custom synthesis services for alpha-(4-cyanophenyl)-N-t-butylnitrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.