Dimethyl 2-fluoroterephthalate
TL;DR: Dimethyl 2-fluoroterephthalate (CAS 5292-47-7) is a chemical compound with molecular formula C10H9FO4 and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-fluorobenzene-1,4-dicarboxylate
Also Known As: Dimethyl 2-fluoroterephthalate, 2-fluoroterephthalic acid dimethyl ester, Dimethyl fluoroterephthalate, dimethyl 2-fluorobenzene-1,4-dicarboxylate, 1,4-dimethyl 2-fluorobenzene-1,4-dicarboxylate
| Molecular Formula | C10H9FO4 |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.0485 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 5292-47-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)F |
| InChIKey | NCRFSIQSCLJDIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-fluoroterephthalate (CAS 5292-47-7), with molecular formula C10H9FO4 and molecular weight 212.05 g/mol. IUPAC: dimethyl 2-fluorobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-fluoroterephthalate
Property Insights of Dimethyl 2-fluoroterephthalate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-fluoroterephthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-fluoroterephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-fluoroterephthalate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 2-fluoroterephthalate?
The CAS number of Dimethyl 2-fluoroterephthalate is 5292-47-7.
What is the molecular formula of Dimethyl 2-fluoroterephthalate?
The molecular formula of Dimethyl 2-fluoroterephthalate is C10H9FO4.
What is the molecular weight of Dimethyl 2-fluoroterephthalate?
The molecular weight of Dimethyl 2-fluoroterephthalate is 212.05 g/mol.
Where can I buy Dimethyl 2-fluoroterephthalate?
You can request a quote for Dimethyl 2-fluoroterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-fluoroterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-fluoroterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.