4-Methoxy-3-(trifluoromethyl)benzonitrile
TL;DR: 4-Methoxy-3-(trifluoromethyl)benzonitrile (CAS 202865-57-4) is a chemical compound with molecular formula C9H6F3NO and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-(trifluoromethyl)benzonitrile
Also Known As: 4-methoxy-3-(trifluoromethyl)benzonitrile, 5-Cyano-2-methoxybenzotrifluoride, Benzonitrile, 4-methoxy-3-(trifluoromethyl)-, 4-METHOXY-3- BENZONITRILE, 4-Cyano-2-(trifluoromethyl)anisole
| Molecular Formula | C9H6F3NO |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.58568 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.04015 |
| Heavy Atoms | 14 |
| Complexity | 378.62396 |
Chemical Identifiers
| CAS Number | 202865-57-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C#N)C(F)(F)F |
Product Overview
4-Methoxy-3-(trifluoromethyl)benzonitrile (CAS 202865-57-4), with molecular formula C9H6F3NO and molecular weight 201.04 g/mol. IUPAC: 4-methoxy-3-(trifluoromethyl)benzonitrile.
Chemical Property Profile of 4-Methoxy-3-(trifluoromethyl)benzonitrile
Property Insights of 4-Methoxy-3-(trifluoromethyl)benzonitrile
The XLogP value of 2.58568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-(trifluoromethyl)benzonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 4-Methoxy-3-(trifluoromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-3-(trifluoromethyl)benzonitrile has 0 hydrogen bond donor(s) and 2 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 4-Methoxy-3-(trifluoromethyl)benzonitrile?
The CAS number of 4-Methoxy-3-(trifluoromethyl)benzonitrile is 202865-57-4.
What is the molecular formula of 4-Methoxy-3-(trifluoromethyl)benzonitrile?
The molecular formula of 4-Methoxy-3-(trifluoromethyl)benzonitrile is C9H6F3NO.
What is the molecular weight of 4-Methoxy-3-(trifluoromethyl)benzonitrile?
The molecular weight of 4-Methoxy-3-(trifluoromethyl)benzonitrile is 201.04 g/mol.
Where can I buy 4-Methoxy-3-(trifluoromethyl)benzonitrile?
You can request a quote for 4-Methoxy-3-(trifluoromethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-(trifluoromethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-(trifluoromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.