2-Nitro-4-trifluoromethylanisole
TL;DR: 2-Nitro-4-trifluoromethylanisole (CAS 394-25-2) is a chemical compound with molecular formula C8H6F3NO3 and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-2-nitro-4-(trifluoromethyl)benzene
Also Known As: 4-Methoxy-3-nitrobenzotrifluoride, 2-Nitro-4-(trifluoromethyl)anisole, 1-Methoxy-2-nitro-4-(trifluoromethyl)benzene, 2-Nitro-4-trifluoromethylanisole, 3-Nitro-4-methoxybenzotrifluoride
| Molecular Formula | C8H6F3NO3 |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02998 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 394-25-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | MAAFHLOZHBKYTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-4-trifluoromethylanisole (CAS 394-25-2), with molecular formula C8H6F3NO3 and molecular weight 221.03 g/mol. IUPAC: 1-methoxy-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Nitro-4-trifluoromethylanisole
Property Insights of 2-Nitro-4-trifluoromethylanisole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-trifluoromethylanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Nitro-4-trifluoromethylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro-4-trifluoromethylanisole has 0 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 2-Nitro-4-trifluoromethylanisole?
The CAS number of 2-Nitro-4-trifluoromethylanisole is 394-25-2.
What is the molecular formula of 2-Nitro-4-trifluoromethylanisole?
The molecular formula of 2-Nitro-4-trifluoromethylanisole is C8H6F3NO3.
What is the molecular weight of 2-Nitro-4-trifluoromethylanisole?
The molecular weight of 2-Nitro-4-trifluoromethylanisole is 221.03 g/mol.
Where can I buy 2-Nitro-4-trifluoromethylanisole?
You can request a quote for 2-Nitro-4-trifluoromethylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-trifluoromethylanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-trifluoromethylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.