N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
TL;DR: N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 77696-95-8) is a chemical compound with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06741033, AH-487/42145043, N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-propylacetamide, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-propylacetamide
| Molecular Formula | C12H14N2O4S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 0.3573 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0674 |
| Heavy Atoms | 19 |
| Complexity | 624.37146 |
Chemical Identifiers
| CAS Number | 77696-95-8 |
|---|---|
| SMILES | CCCNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 77696-95-8), with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol. IUPAC: N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Property Insights of N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
The XLogP value of 0.3573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 4 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-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The CAS number of N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 77696-95-8.
What is the molecular formula of N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular formula of N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is C12H14N2O4S.
What is the molecular weight of N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular weight of N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 282.07 g/mol.
Where can I buy N-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
You can request a quote for N-propyl-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-propyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-propyl-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.