N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
TL;DR: N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide (CAS 445456-06-4) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
Also Known As: BAS 04442766, N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide, N-tert-Butyl-2-(2-oxo-benzothiazol-3-yl)-acetamide, N-tert-butyl-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide, AM-879/41237180
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 445456-06-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CN1C2=CC=CC=C2SC1=O |
| InChIKey | NVVGKFFXLNWVNB-UHFFFAOYSA-N |
Product Overview
N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide (CAS 445456-06-4), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: N-tert-butyl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
Chemical Property Profile of N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
Property Insights of N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide. Following Lipinski's Rule of Five, N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide has 1 hydrogen bond donor(s) and 3 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-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
The CAS number of N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide is 445456-06-4.
What is the molecular formula of N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
The molecular formula of N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide is C13H16N2O2S.
What is the molecular weight of N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
The molecular weight of N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide is 264.09 g/mol.
Where can I buy N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
You can request a quote for N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-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-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.