1,3-Isobenzofurandione, 5-fluoro-
TL;DR: 1,3-Isobenzofurandione, 5-fluoro- (CAS 319-03-9) is a chemical compound with molecular formula C8H3FO3 and molecular weight 166.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-2-benzofuran-1,3-dione
Also Known As: 4-Fluorophthalic anhydride, 5-Fluoroisobenzofuran-1,3-dione, 5-Fluoro-1,3-isobenzofurandione, 5-Fluoro-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione, 5-fluoro-
| Molecular Formula | C8H3FO3 |
|---|---|
| Molecular Weight | 166.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.00662 |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 319-03-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=O)OC2=O |
| InChIKey | XVMKZAAFVWXIII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Isobenzofurandione, 5-fluoro- (CAS 319-03-9), with molecular formula C8H3FO3 and molecular weight 166.01 g/mol. IUPAC: 5-fluoro-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,3-Isobenzofurandione, 5-fluoro-
Property Insights of 1,3-Isobenzofurandione, 5-fluoro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, 5-fluoro-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Isobenzofurandione, 5-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, 5-fluoro- has 0 hydrogen bond donor(s) and 4 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 1,3-Isobenzofurandione, 5-fluoro-?
The CAS number of 1,3-Isobenzofurandione, 5-fluoro- is 319-03-9.
What is the molecular formula of 1,3-Isobenzofurandione, 5-fluoro-?
The molecular formula of 1,3-Isobenzofurandione, 5-fluoro- is C8H3FO3.
What is the molecular weight of 1,3-Isobenzofurandione, 5-fluoro-?
The molecular weight of 1,3-Isobenzofurandione, 5-fluoro- is 166.01 g/mol.
Where can I buy 1,3-Isobenzofurandione, 5-fluoro-?
You can request a quote for 1,3-Isobenzofurandione, 5-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Isobenzofurandione, 5-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, 5-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.