![2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione structure](/static/products/3139/313962-64-0.webp)
2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione
TL;DR: 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione (CAS 313962-64-0) is a chemical compound with molecular formula C22H14ClN3O5 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione
Also Known As: 2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione, 2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione, 2-{[(2-benzoyl-4-chlorophenyl)amino]methyl}-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione, 2-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methyl)-4-nitro-1H-isoindole-1,3(2H)-dione, 2-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methyl)-4-nitrobenzo[c]azoline-1, 3-dione
| Molecular Formula | C22H14ClN3O5 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 4.1448 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.0622 |
| Heavy Atoms | 31 |
| Complexity | 1243.1487 |
Chemical Identifiers
| CAS Number | 313962-64-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] |
Product Overview
2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione (CAS 313962-64-0), with molecular formula C22H14ClN3O5 and molecular weight 435.06 g/mol. IUPAC: 2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione
Property Insights of 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione
The XLogP value of 4.1448 indicates that 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione has 1 hydrogen bond donor(s) and 6 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-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione?
The CAS number of 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione is 313962-64-0.
What is the molecular formula of 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione?
The molecular formula of 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione is C22H14ClN3O5.
What is the molecular weight of 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione?
The molecular weight of 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione is 435.06 g/mol.
Where can I buy 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione?
You can request a quote for 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-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-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.