2,4-Bis(trifluoromethyl)toluene
TL;DR: 2,4-Bis(trifluoromethyl)toluene (CAS 1366664-23-4) is a chemical compound with molecular formula C9H6F6 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2,4-bis(trifluoromethyl)benzene
Also Known As: 2,4-Bis(trifluoromethyl)toluene, 1-methyl-2,4-bis(trifluoromethyl)benzene, Benzene, 1-methyl-2,4-bis(trifluoromethyl)-, 2,4-bis-(Trifluoromethyl)toluene, methyl 6-(1-(methylsulfonyloxy)ethyl)nicotinate
| Molecular Formula | C9H6F6 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 4.03262 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.03737 |
| Heavy Atoms | 15 |
| Complexity | 359.84583 |
Chemical Identifiers
| CAS Number | 1366664-23-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F |
Product Overview
2,4-Bis(trifluoromethyl)toluene (CAS 1366664-23-4), with molecular formula C9H6F6 and molecular weight 228.04 g/mol. IUPAC: 1-methyl-2,4-bis(trifluoromethyl)benzene.
Chemical Property Profile of 2,4-Bis(trifluoromethyl)toluene
Property Insights of 2,4-Bis(trifluoromethyl)toluene
The XLogP value of 4.03262 indicates that 2,4-Bis(trifluoromethyl)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Bis(trifluoromethyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(trifluoromethyl)toluene has 0 hydrogen bond donor(s) and 0 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 2,4-Bis(trifluoromethyl)toluene?
The CAS number of 2,4-Bis(trifluoromethyl)toluene is 1366664-23-4.
What is the molecular formula of 2,4-Bis(trifluoromethyl)toluene?
The molecular formula of 2,4-Bis(trifluoromethyl)toluene is C9H6F6.
What is the molecular weight of 2,4-Bis(trifluoromethyl)toluene?
The molecular weight of 2,4-Bis(trifluoromethyl)toluene is 228.04 g/mol.
Where can I buy 2,4-Bis(trifluoromethyl)toluene?
You can request a quote for 2,4-Bis(trifluoromethyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(trifluoromethyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(trifluoromethyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.