2,4,5-Trifluoroanisole
TL;DR: 2,4,5-Trifluoroanisole (CAS 5006-38-2) is a chemical compound with molecular formula C7H5F3O and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trifluoro-5-methoxybenzene
Also Known As: 2,4,5-TRIFLUOROANISOLE, Cyclohexylvinylether, 1,2,4-trifluoro-5-methoxybenzene, 2,4,5-Trifluor-anisol, 1,2,4-trifluoro-5-methoxy-benzene
| Molecular Formula | C7H5F3O |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 2.1125 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.02925 |
| Heavy Atoms | 11 |
| Complexity | 272.63336 |
Chemical Identifiers
| CAS Number | 5006-38-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1F)F)F |
Product Overview
2,4,5-Trifluoroanisole (CAS 5006-38-2), with molecular formula C7H5F3O and molecular weight 162.03 g/mol. IUPAC: 1,2,4-trifluoro-5-methoxybenzene.
Chemical Property Profile of 2,4,5-Trifluoroanisole
Property Insights of 2,4,5-Trifluoroanisole
The XLogP value of 2.1125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trifluoroanisole. With a topological polar surface area (TPSA) of 9.23 Ų, 2,4,5-Trifluoroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trifluoroanisole has 0 hydrogen bond donor(s) and 1 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 2,4,5-Trifluoroanisole?
The CAS number of 2,4,5-Trifluoroanisole is 5006-38-2.
What is the molecular formula of 2,4,5-Trifluoroanisole?
The molecular formula of 2,4,5-Trifluoroanisole is C7H5F3O.
What is the molecular weight of 2,4,5-Trifluoroanisole?
The molecular weight of 2,4,5-Trifluoroanisole is 162.03 g/mol.
Where can I buy 2,4,5-Trifluoroanisole?
You can request a quote for 2,4,5-Trifluoroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trifluoroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trifluoroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.