N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide
TL;DR: N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide (CAS 438488-94-9) is a chemical compound with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide, N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide, 2-[(N-4,6-dimethyl-2-pyrimidinylcarbamoyl)methyl]-1-oxo-3-oxo-2,3-dihydro-1H-1lambda,2-benzisothiazol-1-ium-1-olate
| Molecular Formula | C15H14N4O4S |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 0.87664 |
| Topological Polar Surface Area | 109.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.07358 |
| Heavy Atoms | 24 |
| Complexity | 935.4465 |
Chemical Identifiers
| CAS Number | 438488-94-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C |
Product Overview
N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide (CAS 438488-94-9), with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol. IUPAC: N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide
Property Insights of N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide
The XLogP value of 0.87664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide. The TPSA of 109.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
The CAS number of N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide is 438488-94-9.
What is the molecular formula of N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
The molecular formula of N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide is C15H14N4O4S.
What is the molecular weight of N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
The molecular weight of N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide is 346.07 g/mol.
Where can I buy N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
You can request a quote for N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-dimethylpyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.