Dimethyl 2,5-difluoroterephthalate
TL;DR: Dimethyl 2,5-difluoroterephthalate (CAS 5292-51-3) is a chemical compound with molecular formula C10H8F2O4 and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-difluorobenzene-1,4-dicarboxylate
Also Known As: Dimethyl 2,5-difluoroterephthalate, dimethyl2,5-difluoroterephthalate, dimethyl 2,5-difluorobenzene-1,4-dicarboxylate, 2.5-Difluor-terephthalsaeuredimethylester, 2,5-Difluoroterephthalic acid dimethyl ester
| Molecular Formula | C10H8F2O4 |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.03906 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 5292-51-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1F)C(=O)OC)F |
| InChIKey | YQOQOCUGIYCMRF-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,5-difluoroterephthalate (CAS 5292-51-3), with molecular formula C10H8F2O4 and molecular weight 230.04 g/mol. IUPAC: dimethyl 2,5-difluorobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2,5-difluoroterephthalate
Property Insights of Dimethyl 2,5-difluoroterephthalate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,5-difluoroterephthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,5-difluoroterephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,5-difluoroterephthalate has 0 hydrogen bond donor(s) and 6 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 2,5-difluoroterephthalate?
The CAS number of Dimethyl 2,5-difluoroterephthalate is 5292-51-3.
What is the molecular formula of Dimethyl 2,5-difluoroterephthalate?
The molecular formula of Dimethyl 2,5-difluoroterephthalate is C10H8F2O4.
What is the molecular weight of Dimethyl 2,5-difluoroterephthalate?
The molecular weight of Dimethyl 2,5-difluoroterephthalate is 230.04 g/mol.
Where can I buy Dimethyl 2,5-difluoroterephthalate?
You can request a quote for Dimethyl 2,5-difluoroterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,5-difluoroterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,5-difluoroterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.