2,4,5-Trifluoro-3-methoxybenzoate
TL;DR: 2,4,5-Trifluoro-3-methoxybenzoate (CAS 11281-65-5) is a chemical compound with molecular formula C8H4F3O3- and molecular weight 205.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trifluoro-3-methoxybenzoate
Also Known As: 2,4,5-trifluoro-3-methoxybenzoate, 2,4,5-Trifluoro-3-methoxybenzoic acid
| Molecular Formula | C8H4F3O3- |
|---|---|
| Molecular Weight | 205.01 g/mol |
| LogP | 0.476 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.01126 |
| Heavy Atoms | 14 |
| Complexity | 389.90817 |
Chemical Identifiers
| CAS Number | 11281-65-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1F)F)C(=O)[O-])F |
Product Overview
2,4,5-Trifluoro-3-methoxybenzoate (CAS 11281-65-5), with molecular formula C8H4F3O3- and molecular weight 205.01 g/mol. IUPAC: 2,4,5-trifluoro-3-methoxybenzoate.
Chemical Property Profile of 2,4,5-Trifluoro-3-methoxybenzoate
Property Insights of 2,4,5-Trifluoro-3-methoxybenzoate
The XLogP value of 0.476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trifluoro-3-methoxybenzoate. With a topological polar surface area (TPSA) of 49.36 Ų, 2,4,5-Trifluoro-3-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trifluoro-3-methoxybenzoate has 0 hydrogen bond donor(s) and 3 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-Trifluoro-3-methoxybenzoate?
The CAS number of 2,4,5-Trifluoro-3-methoxybenzoate is 11281-65-5.
What is the molecular formula of 2,4,5-Trifluoro-3-methoxybenzoate?
The molecular formula of 2,4,5-Trifluoro-3-methoxybenzoate is C8H4F3O3-.
What is the molecular weight of 2,4,5-Trifluoro-3-methoxybenzoate?
The molecular weight of 2,4,5-Trifluoro-3-methoxybenzoate is 205.01 g/mol.
Where can I buy 2,4,5-Trifluoro-3-methoxybenzoate?
You can request a quote for 2,4,5-Trifluoro-3-methoxybenzoate 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-Trifluoro-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trifluoro-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.