![N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide structure](/static/products/6621/662155-29-5.webp)
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 662155-29-5) is a chemical compound with molecular formula C22H21N5O6S2 and molecular weight 515.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanamide
| Molecular Formula | C22H21N5O6S2 |
|---|---|
| Molecular Weight | 515.09 g/mol |
| LogP | 2.06754 |
| Topological Polar Surface Area | 155.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.0933 |
| Heavy Atoms | 35 |
| Complexity | 1516.506 |
Chemical Identifiers
| CAS Number | 662155-29-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O)C |
Product Overview
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 662155-29-5), with molecular formula C22H21N5O6S2 and molecular weight 515.09 g/mol. IUPAC: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 2.06754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. The TPSA of 155.5 Ų indicates high polarity, suggesting N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 662155-29-5.
What is the molecular formula of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C22H21N5O6S2.
What is the molecular weight of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 515.09 g/mol.
Where can I buy N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.