N-甲基-2-硝基-4-(三氟甲基)苯胺
TL;DR: N-甲基-2-硝基-4-(三氟甲基)苯胺 (CAS 20200-22-0) is a chemical compound with molecular formula C8H7F3N2O2 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基-2-硝基-4-(三氟甲基)苯胺
N-methyl-2-nitro-4-(trifluoromethyl)aniline
Also Known As: N-Methyl-2-nitro-4-(trifluoromethyl)aniline, N-Methyl-2-nitro-4-trifluoromethylaniline, Benzenamine, N-methyl-2-nitro-4-(trifluoromethyl)-, Maybridge1_000053, 4-(Methylamino)-3-nitrobenzotrifluoride
| Molecular Formula | C8H7F3N2O2 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.04596 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 20200-22-0 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | WNTLWKOCTHOISL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-甲基-2-硝基-4-(三氟甲基)苯胺 (CAS 20200-22-0), with molecular formula C8H7F3N2O2 and molecular weight 220.05 g/mol. IUPAC: N-methyl-2-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-甲基-2-硝基-4-(三氟甲基)苯胺
Property Insights of N-甲基-2-硝基-4-(三氟甲基)苯胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基-2-硝基-4-(三氟甲基)苯胺. With a topological polar surface area (TPSA) of 57.9 Ų, N-甲基-2-硝基-4-(三氟甲基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基-2-硝基-4-(三氟甲基)苯胺 has 1 hydrogen bond donor(s) and 6 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-甲基-2-硝基-4-(三氟甲基)苯胺?
The CAS number of N-甲基-2-硝基-4-(三氟甲基)苯胺 is 20200-22-0.
What is the molecular formula of N-甲基-2-硝基-4-(三氟甲基)苯胺?
The molecular formula of N-甲基-2-硝基-4-(三氟甲基)苯胺 is C8H7F3N2O2.
What is the molecular weight of N-甲基-2-硝基-4-(三氟甲基)苯胺?
The molecular weight of N-甲基-2-硝基-4-(三氟甲基)苯胺 is 220.05 g/mol.
Where can I buy N-甲基-2-硝基-4-(三氟甲基)苯胺?
You can request a quote for N-甲基-2-硝基-4-(三氟甲基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基-2-硝基-4-(三氟甲基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基-2-硝基-4-(三氟甲基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.