![3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide structure](/static/products/501/501107-53-5.png)
3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
TL;DR: 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide (CAS 501107-53-5) is a chemical compound with molecular formula C23H25BrN4O3S and molecular weight 516.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-tert-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
Also Known As: 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide, 3-bromo-4-tert-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide, 3-bromo-4-tert-butyl-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide, 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-tert-butyl-benzamide
| Molecular Formula | C23H25BrN4O3S |
|---|---|
| Molecular Weight | 516.08 g/mol |
| LogP | 5.20654 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.08307 |
| Heavy Atoms | 32 |
| Complexity | 1247.1393 |
Chemical Identifiers
| CAS Number | 501107-53-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(C)(C)C)Br)C |
Product Overview
3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide (CAS 501107-53-5), with molecular formula C23H25BrN4O3S and molecular weight 516.08 g/mol. IUPAC: 3-bromo-4-tert-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
Chemical Property Profile of 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
Property Insights of 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
The XLogP value of 5.20654 indicates that 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide. Following Lipinski's Rule of Five, 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide?
The CAS number of 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide is 501107-53-5.
What is the molecular formula of 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide?
The molecular formula of 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide is C23H25BrN4O3S.
What is the molecular weight of 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide?
The molecular weight of 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide is 516.08 g/mol.
Where can I buy 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide?
You can request a quote for 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-tert-butyl-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.