Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate
TL;DR: Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate (CAS 950-68-5) is a chemical compound with molecular formula C9H7F4NO2 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2,3,5,6-tetrafluorobenzoate
Also Known As: Ethyl 4-aminotetrafluorobenzoate, ethyl 4-amino-2,3,5,6-tetrafluorobenzoate, Ethyl 4-amino-2,3,5,6-tetrafluoro-benzoate, ethyl4-amino-2,3,5,6-tetrafluorobenzoate, 4-Aminotetrafluorobenzoic acid, ethyl ester
| Molecular Formula | C9H7F4NO2 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 2.0019 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.04129 |
| Heavy Atoms | 16 |
| Complexity | 418.6205 |
Chemical Identifiers
| CAS Number | 950-68-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1F)F)N)F)F |
Product Overview
Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate (CAS 950-68-5), with molecular formula C9H7F4NO2 and molecular weight 237.04 g/mol. IUPAC: ethyl 4-amino-2,3,5,6-tetrafluorobenzoate.
Chemical Property Profile of Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate
Property Insights of Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate
The XLogP value of 2.0019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate has 1 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 Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate?
The CAS number of Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate is 950-68-5.
What is the molecular formula of Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate?
The molecular formula of Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate is C9H7F4NO2.
What is the molecular weight of Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate?
The molecular weight of Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate is 237.04 g/mol.
Where can I buy Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate?
You can request a quote for Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2,3,5,6-tetrafluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.