Methyl 2,3,4,5-tetrafluorobenzoate
TL;DR: Methyl 2,3,4,5-tetrafluorobenzoate (CAS 5292-42-2) is a chemical compound with molecular formula C8H4F4O2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,4,5-tetrafluorobenzoate
Also Known As: Methyl 2,3,4,5-tetrafluorobenzoate, 2,3,4,5-tetrafluoro-benzoic acid methyl ester, 2,3,4,5-tetrafluorobenzoic acid methyl ester, Benzoic acid, 2,3,4,5-tetrafluoro-, methyl ester, Methyl2,3,4,5-tetrafluorobenzoate
| Molecular Formula | C8H4F4O2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.01474 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 5292-42-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1F)F)F)F |
| InChIKey | MAEQYZYOSFAUAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,3,4,5-tetrafluorobenzoate (CAS 5292-42-2), with molecular formula C8H4F4O2 and molecular weight 208.01 g/mol. IUPAC: methyl 2,3,4,5-tetrafluorobenzoate.
Chemical Property Profile of Methyl 2,3,4,5-tetrafluorobenzoate
Property Insights of Methyl 2,3,4,5-tetrafluorobenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3,4,5-tetrafluorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,3,4,5-tetrafluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3,4,5-tetrafluorobenzoate 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 Methyl 2,3,4,5-tetrafluorobenzoate?
The CAS number of Methyl 2,3,4,5-tetrafluorobenzoate is 5292-42-2.
What is the molecular formula of Methyl 2,3,4,5-tetrafluorobenzoate?
The molecular formula of Methyl 2,3,4,5-tetrafluorobenzoate is C8H4F4O2.
What is the molecular weight of Methyl 2,3,4,5-tetrafluorobenzoate?
The molecular weight of Methyl 2,3,4,5-tetrafluorobenzoate is 208.01 g/mol.
Where can I buy Methyl 2,3,4,5-tetrafluorobenzoate?
You can request a quote for Methyl 2,3,4,5-tetrafluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,4,5-tetrafluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,4,5-tetrafluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.