5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione (CAS 5744-55-8) is a chemical compound with molecular formula C22H14N2O3 and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)isoindole-1,3-dione
Also Known As: AB00095552-01, 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione, 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)isoindole-1,3-dione
| Molecular Formula | C22H14N2O3 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.60382 |
| Topological Polar Surface Area | 63.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.10043 |
| Heavy Atoms | 27 |
| Complexity | 1206.2854 |
Chemical Identifiers
| CAS Number | 5744-55-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5O4 |
Product Overview
5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione (CAS 5744-55-8), with molecular formula C22H14N2O3 and molecular weight 354.10 g/mol. IUPAC: 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)isoindole-1,3-dione.
Chemical Property Profile of 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 4.60382 indicates that 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-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 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione is 5744-55-8.
What is the molecular formula of 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione is C22H14N2O3.
What is the molecular weight of 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione is 354.10 g/mol.
Where can I buy 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzoxazol-2-yl)-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.