Methyl 4-azido-2,3,5,6-tetrafluorobenzoate
TL;DR: Methyl 4-azido-2,3,5,6-tetrafluorobenzoate (CAS 122590-75-4) is a chemical compound with molecular formula C8H3F4N3O2 and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-azido-2,3,5,6-tetrafluorobenzoate
Also Known As: ATFMB methyl ester, Methyl 4-azido-2,3,5,6-tetrafluorobenzoate, METHYL 4-AZIDOTETRAFLUOROBENZOATE, 4-Azido-2,3,5,6-tetrafluorobenzoic acid methyl ester, 4-azido-2,3,5,6-tetrafluorobenzoic acid
| Molecular Formula | C8H3F4N3O2 |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.01614 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 122590-75-4 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F |
| InChIKey | CGSQBDQXCKRZQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-azido-2,3,5,6-tetrafluorobenzoate (CAS 122590-75-4), with molecular formula C8H3F4N3O2 and molecular weight 249.02 g/mol. IUPAC: methyl 4-azido-2,3,5,6-tetrafluorobenzoate.
Chemical Property Profile of Methyl 4-azido-2,3,5,6-tetrafluorobenzoate
Property Insights of Methyl 4-azido-2,3,5,6-tetrafluorobenzoate
The XLogP value of 3.1 indicates that Methyl 4-azido-2,3,5,6-tetrafluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.7 Ų, Methyl 4-azido-2,3,5,6-tetrafluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-azido-2,3,5,6-tetrafluorobenzoate has 0 hydrogen bond donor(s) and 8 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-azido-2,3,5,6-tetrafluorobenzoate?
The CAS number of Methyl 4-azido-2,3,5,6-tetrafluorobenzoate is 122590-75-4.
What is the molecular formula of Methyl 4-azido-2,3,5,6-tetrafluorobenzoate?
The molecular formula of Methyl 4-azido-2,3,5,6-tetrafluorobenzoate is C8H3F4N3O2.
What is the molecular weight of Methyl 4-azido-2,3,5,6-tetrafluorobenzoate?
The molecular weight of Methyl 4-azido-2,3,5,6-tetrafluorobenzoate is 249.02 g/mol.
Where can I buy Methyl 4-azido-2,3,5,6-tetrafluorobenzoate?
You can request a quote for Methyl 4-azido-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-azido-2,3,5,6-tetrafluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-azido-2,3,5,6-tetrafluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.