N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline
TL;DR: N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline (CAS 247113-96-8) is a chemical compound with molecular formula C11H13F3N2O2 and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline
Also Known As: N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline, N-(tert-Butyl)-2-nitro-4-(trifluoromethyl)aniline, N-tert-butyl-2-nitro-4-trifluoromethylaniline, J3.366.053G, (tert-butyl)[2-nitro-4-(trifluoromethyl)phenyl]amine
| Molecular Formula | C11H13F3N2O2 |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 3.824 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.09293 |
| Heavy Atoms | 18 |
| Complexity | 464.3366 |
Chemical Identifiers
| CAS Number | 247113-96-8 |
|---|---|
| SMILES | CC(C)(C)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline (CAS 247113-96-8), with molecular formula C11H13F3N2O2 and molecular weight 262.09 g/mol. IUPAC: N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline
Property Insights of N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline
The XLogP value of 3.824 indicates that N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline has 1 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-tert-butyl-2-nitro-4-(trifluoromethyl)aniline?
The CAS number of N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline is 247113-96-8.
What is the molecular formula of N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline?
The molecular formula of N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline is C11H13F3N2O2.
What is the molecular weight of N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline?
The molecular weight of N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline is 262.09 g/mol.
Where can I buy N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline?
You can request a quote for N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-2-nitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.