N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 452298-25-8) is a chemical compound with molecular formula C16H12N2O6S and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06739488, VU0495744-1, AO-081/42097457, F2748-0175, N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C16H12N2O6S |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 1.1985 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.0416 |
| Heavy Atoms | 25 |
| Complexity | 1001.4346 |
Chemical Identifiers
| CAS Number | 452298-25-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 452298-25-8), with molecular formula C16H12N2O6S and molecular weight 360.04 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
The XLogP value of 1.1985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-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-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 452298-25-8.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is C16H12N2O6S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 360.04 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
You can request a quote for N-(1,3-benzodioxol-5-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-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-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.