![2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione structure](/static/products/817/81729-52-4.png)
2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione
TL;DR: 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione (CAS 81729-52-4) is a chemical compound with molecular formula C15H9ClN2O4 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-2-nitrophenyl)methyl]isoindole-1,3-dione
Also Known As: 2-[(4-chloro-2-nitrophenyl)methyl]isoindole-1,3-dione, 2-[(4-Chloro-2-nitrophenyl)methyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H9ClN2O4 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0251 |
| Heavy Atoms | 22 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 81729-52-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | AMFNAKSJUSXGSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione (CAS 81729-52-4), with molecular formula C15H9ClN2O4 and molecular weight 316.03 g/mol. IUPAC: 2-[(4-chloro-2-nitrophenyl)methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione
Property Insights of 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[(4-Chloro-2-nitrophenyl)methyl]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-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione?
The CAS number of 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione is 81729-52-4.
What is the molecular formula of 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione?
The molecular formula of 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione is C15H9ClN2O4.
What is the molecular weight of 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione?
The molecular weight of 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione is 316.03 g/mol.
Where can I buy 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione?
You can request a quote for 2-[(4-Chloro-2-nitrophenyl)methyl]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-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chloro-2-nitrophenyl)methyl]isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.