4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
TL;DR: 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CAS 705286-39-1) is a chemical compound with molecular formula C23H27N5O3S and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-tert-butylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea
Also Known As: 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide, 1-(2-tert-butylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea
| Molecular Formula | C23H27N5O3S |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 4.83574 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.18347 |
| Heavy Atoms | 32 |
| Complexity | 1212.9818 |
Chemical Identifiers
| CAS Number | 705286-39-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C(C)(C)C)C |
Product Overview
4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CAS 705286-39-1), with molecular formula C23H27N5O3S and molecular weight 453.18 g/mol. IUPAC: 1-(2-tert-butylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea.
Chemical Property Profile of 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Property Insights of 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
The XLogP value of 4.83574 indicates that 4-(3-(2-(tert-Butyl)phenyl)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-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(3-(2-(tert-Butyl)phenyl)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-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The CAS number of 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is 705286-39-1.
What is the molecular formula of 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The molecular formula of 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is C23H27N5O3S.
What is the molecular weight of 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The molecular weight of 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is 453.18 g/mol.
Where can I buy 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
You can request a quote for 4-(3-(2-(tert-Butyl)phenyl)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-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(2-(tert-Butyl)phenyl)ureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.