![2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione structure](/static/products/107/107943-31-7.png)
2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 107943-31-7) is a chemical compound with molecular formula C15H10ClN3O4 and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloroanilino)methyl]-5-nitroisoindole-1,3-dione
Also Known As: 2-[(4-chloroanilino)methyl]-5-nitroisoindole-1,3-dione, 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione, 2-{[(4-CHLOROPHENYL)AMINO]METHYL}-5-NITROISOINDOLE-1,3-DIONE, 2-{[(4-CHLOROPHENYL)AMINO]METHYL}-5-NITRO-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C15H10ClN3O4 |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.03598 |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 107943-31-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | ARJZXHUPQITDIH-UHFFFAOYSA-N |
Product Overview
2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 107943-31-7), with molecular formula C15H10ClN3O4 and molecular weight 331.04 g/mol. IUPAC: 2-[(4-chloroanilino)methyl]-5-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.1 indicates that 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione has 1 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-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione is 107943-31-7.
What is the molecular formula of 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione is C15H10ClN3O4.
What is the molecular weight of 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione is 331.04 g/mol.
Where can I buy 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-{[(4-chlorophenyl)amino]methyl}-5-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-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-chlorophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.