2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione (CAS 302953-50-0) is a chemical compound with molecular formula C16H10N2O5 and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-acetylphenyl)-4-nitroisoindole-1,3-dione
Also Known As: 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione, 2-(3-acetylphenyl)-4-nitroisoindole-1,3-dione, BAS 00135776, 2-(3-acetylphenyl)-4-nitroisoindoline-1,3-dione, F0827-0217
| Molecular Formula | C16H10N2O5 |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 2.598 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.05896 |
| Heavy Atoms | 23 |
| Complexity | 887.78937 |
Chemical Identifiers
| CAS Number | 302953-50-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione (CAS 302953-50-0), with molecular formula C16H10N2O5 and molecular weight 310.06 g/mol. IUPAC: 2-(3-acetylphenyl)-4-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-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-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione is 302953-50-0.
What is the molecular formula of 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione is C16H10N2O5.
What is the molecular weight of 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione is 310.06 g/mol.
Where can I buy 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(3-acetylphenyl)-4-nitro-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 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.