5-Methoxy-2-nitrobenzotrifluoride
TL;DR: 5-Methoxy-2-nitrobenzotrifluoride (CAS 344-39-8) 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.
4-methoxy-1-nitro-2-(trifluoromethyl)benzene
Also Known As: 4-Methoxy-1-nitro-2-(trifluoromethyl)benzene, 2-Ethoxy-5-methylpyrazine, 4-Nitro-3-(trifluoromethyl)anisole, 4-Methoxy-1-Nitro-2-Trifluoromethyl-Benzene, 4-nitro-3-trifluoromethylanisol
| Molecular Formula | C8H6F3NO3 |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 3.1 |
| 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 | 344-39-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F |
| InChIKey | RBEXRIBHQSUANC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-2-nitrobenzotrifluoride (CAS 344-39-8), with molecular formula C8H6F3NO3 and molecular weight 221.03 g/mol. IUPAC: 4-methoxy-1-nitro-2-(trifluoromethyl)benzene.
Chemical Property Profile of 5-Methoxy-2-nitrobenzotrifluoride
Property Insights of 5-Methoxy-2-nitrobenzotrifluoride
The XLogP value of 3.1 indicates that 5-Methoxy-2-nitrobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 5-Methoxy-2-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-2-nitrobenzotrifluoride 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 5-Methoxy-2-nitrobenzotrifluoride?
The CAS number of 5-Methoxy-2-nitrobenzotrifluoride is 344-39-8.
What is the molecular formula of 5-Methoxy-2-nitrobenzotrifluoride?
The molecular formula of 5-Methoxy-2-nitrobenzotrifluoride is C8H6F3NO3.
What is the molecular weight of 5-Methoxy-2-nitrobenzotrifluoride?
The molecular weight of 5-Methoxy-2-nitrobenzotrifluoride is 221.03 g/mol.
Where can I buy 5-Methoxy-2-nitrobenzotrifluoride?
You can request a quote for 5-Methoxy-2-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-2-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.