5-Phenylisobenzofuran-1,3-dione
TL;DR: 5-Phenylisobenzofuran-1,3-dione (CAS 955-16-8) is a chemical compound with molecular formula C14H8O3 and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-2-benzofuran-1,3-dione
Also Known As: 5-PHENYLISOBENZOFURAN-1,3-DIONE, 5-phenyl-2-benzofuran-1,3-dione, 3,4-Biphenyldicarboxylic anhydride, 1,3-Isobenzofurandione, 5-phenyl-, 5-Phenyl-1,3-dihydro-2-benzofuran-1,3-dione
| Molecular Formula | C14H8O3 |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.04735 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 955-16-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)OC3=O |
| InChIKey | YTRAFABYXOZRDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenylisobenzofuran-1,3-dione (CAS 955-16-8), with molecular formula C14H8O3 and molecular weight 224.05 g/mol. IUPAC: 5-phenyl-2-benzofuran-1,3-dione.
Chemical Property Profile of 5-Phenylisobenzofuran-1,3-dione
Property Insights of 5-Phenylisobenzofuran-1,3-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylisobenzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 5-Phenylisobenzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenylisobenzofuran-1,3-dione has 0 hydrogen bond donor(s) and 3 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 5-Phenylisobenzofuran-1,3-dione?
The CAS number of 5-Phenylisobenzofuran-1,3-dione is 955-16-8.
What is the molecular formula of 5-Phenylisobenzofuran-1,3-dione?
The molecular formula of 5-Phenylisobenzofuran-1,3-dione is C14H8O3.
What is the molecular weight of 5-Phenylisobenzofuran-1,3-dione?
The molecular weight of 5-Phenylisobenzofuran-1,3-dione is 224.05 g/mol.
Where can I buy 5-Phenylisobenzofuran-1,3-dione?
You can request a quote for 5-Phenylisobenzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenylisobenzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenylisobenzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.