![2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione structure](/static/products/7461/74614-54-3.webp)
2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 74614-54-3) is a chemical compound with molecular formula C21H14ClN3O5 and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenoxy)anilino]methyl]-5-nitroisoindole-1,3-dione
Also Known As: 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione, 2-{[4-(4-chlorophenoxy)anilino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione, 2-[[4-(4-chlorophenoxy)anilino]methyl]-5-nitroisoindole-1,3-dione
| Molecular Formula | C21H14ClN3O5 |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 4.7061 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.0622 |
| Heavy Atoms | 30 |
| Complexity | 1146.3083 |
Chemical Identifiers
| CAS Number | 74614-54-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)Cl |
Product Overview
2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 74614-54-3), with molecular formula C21H14ClN3O5 and molecular weight 423.06 g/mol. IUPAC: 2-[[4-(4-chlorophenoxy)anilino]methyl]-5-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
The XLogP value of 4.7061 indicates that 2-[[[4-(4-Chlorophenoxy)phenyl]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 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-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-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione is 74614-54-3.
What is the molecular formula of 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione is C21H14ClN3O5.
What is the molecular weight of 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione is 423.06 g/mol.
Where can I buy 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-[[[4-(4-Chlorophenoxy)phenyl]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-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[4-(4-Chlorophenoxy)phenyl]amino]methyl]-5-nitro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.