N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone
TL;DR: N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone (CAS 52569-41-2) is a chemical compound with molecular formula C12H14F3NO and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-imine oxide
Also Known As: Cid 6452665, N-Ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone, N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-imine oxide, Ethanamine, N-(1-methyl-2-(3-(trifluoromethyl)phenyl)ethylidene)-, N-oxide, RefChem:163319
| Molecular Formula | C12H14F3NO |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 3.239 |
| Topological Polar Surface Area | 26.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.10275 |
| Heavy Atoms | 17 |
| Complexity | 424.00406 |
Chemical Identifiers
| CAS Number | 52569-41-2 |
|---|---|
| SMILES | CC/[N+](=C(\C)/CC1=CC(=CC=C1)C(F)(F)F)/[O-] |
Product Overview
N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone (CAS 52569-41-2), with molecular formula C12H14F3NO and molecular weight 245.10 g/mol. IUPAC: N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-imine oxide.
Chemical Property Profile of N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone
Property Insights of N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone
The XLogP value of 3.239 indicates that N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.07 Ų, N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone has 0 hydrogen bond donor(s) and 1 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-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone?
The CAS number of N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone is 52569-41-2.
What is the molecular formula of N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone?
The molecular formula of N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone is C12H14F3NO.
What is the molecular weight of N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone?
The molecular weight of N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone is 245.10 g/mol.
Where can I buy N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone?
You can request a quote for N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-alpha-methyl-alpha-(m-trifluoromethylbenzyl)nitrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.