Dimethyl tetrafluorophthalate
TL;DR: Dimethyl tetrafluorophthalate (CAS 1024-59-5) is a chemical compound with molecular formula C10H6F4O4 and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate
Also Known As: dimethyl tetrafluorophthalate, Dimethyl 3,4,5,6-tetrafluorophthalate, 3,4,5,6-tetrafluorophthalic acid dimethyl ester, dimethyl 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate, Phthalic acid, tetrafluoro-, dimethyl ester
| Molecular Formula | C10H6F4O4 |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.02023 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 1024-59-5 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1F)F)F)F)C(=O)OC |
| InChIKey | YKDASBAWJFXNAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl tetrafluorophthalate (CAS 1024-59-5), with molecular formula C10H6F4O4 and molecular weight 266.02 g/mol. IUPAC: dimethyl 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl tetrafluorophthalate
Property Insights of Dimethyl tetrafluorophthalate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl tetrafluorophthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl tetrafluorophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl tetrafluorophthalate 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 Dimethyl tetrafluorophthalate?
The CAS number of Dimethyl tetrafluorophthalate is 1024-59-5.
What is the molecular formula of Dimethyl tetrafluorophthalate?
The molecular formula of Dimethyl tetrafluorophthalate is C10H6F4O4.
What is the molecular weight of Dimethyl tetrafluorophthalate?
The molecular weight of Dimethyl tetrafluorophthalate is 266.02 g/mol.
Where can I buy Dimethyl tetrafluorophthalate?
You can request a quote for Dimethyl tetrafluorophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl tetrafluorophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl tetrafluorophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.