4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
TL;DR: 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CAS 705286-33-5) is a chemical compound with molecular formula C20H20ClN5O3S and molecular weight 445.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea
Also Known As: 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide, 1-(3-chloro-4-methylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea, 1-(3-chloro-4-methylphenyl)-3-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}urea
| Molecular Formula | C20H20ClN5O3S |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 4.50006 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.09753 |
| Heavy Atoms | 30 |
| Complexity | 1177.3138 |
Chemical Identifiers
| CAS Number | 705286-33-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C)Cl |
Product Overview
4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CAS 705286-33-5), with molecular formula C20H20ClN5O3S and molecular weight 445.10 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea.
Chemical Property Profile of 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Property Insights of 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
The XLogP value of 4.50006 indicates that 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has 3 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 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The CAS number of 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is 705286-33-5.
What is the molecular formula of 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The molecular formula of 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is C20H20ClN5O3S.
What is the molecular weight of 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The molecular weight of 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is 445.10 g/mol.
Where can I buy 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
You can request a quote for 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(3-Chloro-4-methylphenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.