2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione
TL;DR: 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione (CAS 294667-18-8) is a chemical compound with molecular formula C23H12N2O5 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione
Also Known As: 2-(3-ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione, AB00075023-01, 2-(3-ethynylphenyl)-5-[(3-nitrophenyl)carbonyl]benzo[c]azoline-1,3-dione, 2-(3-ethynylphenyl)-5-{3-nitrobenzoyl}-1H-isoindole-1,3(2H)-dione, 2-(3-ethynylphenyl)-5-[(3-nitrophenyl)carbonyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C23H12N2O5 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 3.6077 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.07462 |
| Heavy Atoms | 30 |
| Complexity | 1302.9408 |
Chemical Identifiers
| CAS Number | 294667-18-8 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione (CAS 294667-18-8), with molecular formula C23H12N2O5 and molecular weight 396.07 g/mol. IUPAC: 2-(3-ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione
Property Insights of 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione
The XLogP value of 3.6077 indicates that 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione 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 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
The CAS number of 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione is 294667-18-8.
What is the molecular formula of 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
The molecular formula of 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione is C23H12N2O5.
What is the molecular weight of 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
The molecular weight of 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione is 396.07 g/mol.
Where can I buy 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
You can request a quote for 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)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-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Ethynylphenyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.