![4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide structure](/static/products/7006/7006-79-3.webp)
4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide
TL;DR: 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide (CAS 7006-79-3) is a chemical compound with molecular formula C25H20ClN7O9S and molecular weight 629.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroanilino)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dinitrobenzamide
Also Known As: 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide, 4-(2-chloroanilino)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dinitrobenzamide
| Molecular Formula | C25H20ClN7O9S |
|---|---|
| Molecular Weight | 629.07 g/mol |
| LogP | 4.7603 |
| Topological Polar Surface Area | 217.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 629.0732 |
| Heavy Atoms | 43 |
| Complexity | 1780.2697 |
Chemical Identifiers
| CAS Number | 7006-79-3 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=CC=C4Cl)[N+](=O)[O-])OC |
Product Overview
4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide (CAS 7006-79-3), with molecular formula C25H20ClN7O9S and molecular weight 629.07 g/mol. IUPAC: 4-(2-chloroanilino)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dinitrobenzamide.
Chemical Property Profile of 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide
Property Insights of 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide
The XLogP value of 4.7603 indicates that 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.82 Ų indicates high polarity, suggesting 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide?
The CAS number of 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide is 7006-79-3.
What is the molecular formula of 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide?
The molecular formula of 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide is C25H20ClN7O9S.
What is the molecular weight of 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide?
The molecular weight of 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide is 629.07 g/mol.
Where can I buy 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide?
You can request a quote for 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroanilino)-N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.