N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
TL;DR: N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 899756-96-8) is a chemical compound with molecular formula C13H10N4O4S and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: VU0495756-1, N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(pyrimidin-2-yl)acetamide, N-(pyrimidin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide, N-2-pyrimidinyl(1,1-dioxo-3-oxo-1,3-dihydro-2H-1lambda,2-benzisothiazol-2-yl)acetamide
| Molecular Formula | C13H10N4O4S |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 0.2598 |
| Topological Polar Surface Area | 109.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04227 |
| Heavy Atoms | 22 |
| Complexity | 851.35364 |
Chemical Identifiers
| CAS Number | 899756-96-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=NC=CC=N3 |
Product Overview
N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 899756-96-8), with molecular formula C13H10N4O4S and molecular weight 318.04 g/mol. IUPAC: N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Property Insights of N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
The XLogP value of 0.2598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. The TPSA of 109.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-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-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The CAS number of N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 899756-96-8.
What is the molecular formula of N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular formula of N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is C13H10N4O4S.
What is the molecular weight of N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular weight of N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 318.04 g/mol.
Where can I buy N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
You can request a quote for N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-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-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-pyrimidin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.