3-Methoxy-5-nitrobenzotrifluoride
TL;DR: 3-Methoxy-5-nitrobenzotrifluoride (CAS 328-79-0) 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-3-nitro-5-(trifluoromethyl)benzene
Also Known As: 3-Methoxy-5-nitrobenzotrifluoride, 1-Methoxy-3-nitro-5-(trifluoromethyl)benzene, 3-Nitro-5-(trifluoromethyl)anisole, 5-methoxy-3-nitrobenzotrifluoride, 3,5-Di(trifluoromethyl)aniline
| Molecular Formula | C8H6F3NO3 |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 2.6 |
| 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 | 328-79-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F |
| InChIKey | NCPVPJVRLLHBEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-5-nitrobenzotrifluoride (CAS 328-79-0), with molecular formula C8H6F3NO3 and molecular weight 221.03 g/mol. IUPAC: 1-methoxy-3-nitro-5-(trifluoromethyl)benzene.
Chemical Property Profile of 3-Methoxy-5-nitrobenzotrifluoride
Property Insights of 3-Methoxy-5-nitrobenzotrifluoride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-5-nitrobenzotrifluoride. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Methoxy-5-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-5-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 3-Methoxy-5-nitrobenzotrifluoride?
The CAS number of 3-Methoxy-5-nitrobenzotrifluoride is 328-79-0.
What is the molecular formula of 3-Methoxy-5-nitrobenzotrifluoride?
The molecular formula of 3-Methoxy-5-nitrobenzotrifluoride is C8H6F3NO3.
What is the molecular weight of 3-Methoxy-5-nitrobenzotrifluoride?
The molecular weight of 3-Methoxy-5-nitrobenzotrifluoride is 221.03 g/mol.
Where can I buy 3-Methoxy-5-nitrobenzotrifluoride?
You can request a quote for 3-Methoxy-5-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-5-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-5-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.