Methyl 4-amino-2,3,5,6-tetrafluorobenzoate
TL;DR: Methyl 4-amino-2,3,5,6-tetrafluorobenzoate (CAS 715-37-7) is a chemical compound with molecular formula C8H5F4NO2 and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-2,3,5,6-tetrafluorobenzoate
Also Known As: methyl 4-amino-2,3,5,6-tetrafluorobenzoate, Methyl 4-aminotetrafluorobenzoate, 4-(Methoxycarbonyl)tetrafluoroaniline, 4-Aminotetrafluorobenzoic acid, methyl ester, Methyl4-amino-2,3,5,6-tetrafluorobenzoate
| Molecular Formula | C8H5F4NO2 |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 1.6118 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.02563 |
| Heavy Atoms | 15 |
| Complexity | 404.13522 |
Chemical Identifiers
| CAS Number | 715-37-7 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1F)F)N)F)F |
Product Overview
Methyl 4-amino-2,3,5,6-tetrafluorobenzoate (CAS 715-37-7), with molecular formula C8H5F4NO2 and molecular weight 223.03 g/mol. IUPAC: methyl 4-amino-2,3,5,6-tetrafluorobenzoate.
Chemical Property Profile of Methyl 4-amino-2,3,5,6-tetrafluorobenzoate
Property Insights of Methyl 4-amino-2,3,5,6-tetrafluorobenzoate
The XLogP value of 1.6118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-2,3,5,6-tetrafluorobenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 4-amino-2,3,5,6-tetrafluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 4-amino-2,3,5,6-tetrafluorobenzoate?
The CAS number of Methyl 4-amino-2,3,5,6-tetrafluorobenzoate is 715-37-7.
What is the molecular formula of Methyl 4-amino-2,3,5,6-tetrafluorobenzoate?
The molecular formula of Methyl 4-amino-2,3,5,6-tetrafluorobenzoate is C8H5F4NO2.
What is the molecular weight of Methyl 4-amino-2,3,5,6-tetrafluorobenzoate?
The molecular weight of Methyl 4-amino-2,3,5,6-tetrafluorobenzoate is 223.03 g/mol.
Where can I buy Methyl 4-amino-2,3,5,6-tetrafluorobenzoate?
You can request a quote for Methyl 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 Methyl 4-amino-2,3,5,6-tetrafluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-2,3,5,6-tetrafluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.