2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione
TL;DR: 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione (CAS 5770-91-2) is a chemical compound with molecular formula C21H12N2O3 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione
Also Known As: 5-Hydroxy-5-phenyl-2-pentanon, 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione, BAS 00470803, 2-[3-(1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione, 2-(3-benzoxazol-2-ylphenyl)benzo[c]azolidine-1,3-dione
| Molecular Formula | C21H12N2O3 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.08478 |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 5770-91-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C4=NC5=CC=CC=C5O4 |
| InChIKey | GEXKEKIFODXLAZ-UHFFFAOYSA-N |
Product Overview
2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione (CAS 5770-91-2), with molecular formula C21H12N2O3 and molecular weight 340.08 g/mol. IUPAC: 2-[3-(1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione
Property Insights of 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione
The XLogP value of 4.0 indicates that 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione 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 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione?
The CAS number of 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione is 5770-91-2.
What is the molecular formula of 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione?
The molecular formula of 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione is C21H12N2O3.
What is the molecular weight of 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione?
The molecular weight of 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione is 340.08 g/mol.
Where can I buy 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione?
You can request a quote for 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-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 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.