3,6-Difluorophthalic anhydride
TL;DR: 3,6-Difluorophthalic anhydride (CAS 652-40-4) is a chemical compound with molecular formula C8H2F2O3 and molecular weight 184.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-difluoro-2-benzofuran-1,3-dione
Also Known As: 3,6-Difluorophthalic anhydride, 4,7-difluoroisobenzofuran-1,3-dione, 4,7-difluoro-2-benzofuran-1,3-dione, 3,6-Difluorophthalicanhydride, 1,3-isobenzofurandione, 4,7-difluoro-
| Molecular Formula | C8H2F2O3 |
|---|---|
| Molecular Weight | 184.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.99721 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 652-40-4 |
|---|---|
| SMILES | C1=CC(=C2C(=C1F)C(=O)OC2=O)F |
| InChIKey | AVLRPSLTCCWJKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Difluorophthalic anhydride (CAS 652-40-4), with molecular formula C8H2F2O3 and molecular weight 184.00 g/mol. IUPAC: 4,7-difluoro-2-benzofuran-1,3-dione.
Chemical Property Profile of 3,6-Difluorophthalic anhydride
Property Insights of 3,6-Difluorophthalic anhydride
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Difluorophthalic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 3,6-Difluorophthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Difluorophthalic anhydride 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 3,6-Difluorophthalic anhydride?
The CAS number of 3,6-Difluorophthalic anhydride is 652-40-4.
What is the molecular formula of 3,6-Difluorophthalic anhydride?
The molecular formula of 3,6-Difluorophthalic anhydride is C8H2F2O3.
What is the molecular weight of 3,6-Difluorophthalic anhydride?
The molecular weight of 3,6-Difluorophthalic anhydride is 184.00 g/mol.
Where can I buy 3,6-Difluorophthalic anhydride?
You can request a quote for 3,6-Difluorophthalic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Difluorophthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Difluorophthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.