![Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate structure](/static/products/698/698977-85-4.png)
Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
TL;DR: Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate (CAS 698977-85-4) is a chemical compound with molecular formula C13H7F4NO3 and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate
Also Known As: methyl 4-((perfluoropyridin-4-yl)oxy)benzoate, Methyl 4-(2,3,5,6-tetrafluoropyridin-4-yl)oxybenzoate, methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
| Molecular Formula | C13H7F4NO3 |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 3.2169 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0362 |
| Heavy Atoms | 21 |
| Complexity | 662.55597 |
Chemical Identifiers
| CAS Number | 698977-85-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=C(C(=NC(=C2F)F)F)F |
Product Overview
Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate (CAS 698977-85-4), with molecular formula C13H7F4NO3 and molecular weight 301.04 g/mol. IUPAC: methyl 4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]benzoate.
Chemical Property Profile of Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
Property Insights of Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
The XLogP value of 3.2169 indicates that Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate has 0 hydrogen bond donor(s) and 4 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 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate?
The CAS number of Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate is 698977-85-4.
What is the molecular formula of Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate?
The molecular formula of Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate is C13H7F4NO3.
What is the molecular weight of Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate?
The molecular weight of Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate is 301.04 g/mol.
Where can I buy Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate?
You can request a quote for Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.