![2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione structure](/static/products/1641/16417-22-4.webp)
2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione
TL;DR: 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione (CAS 16417-22-4) is a chemical compound with molecular formula C16H10N2O5S and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione
Also Known As: N-(Phthalimidomethyl)-saccharin, 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione, 2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione, 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
| Molecular Formula | C16H10N2O5S |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.03104 |
| Heavy Atoms | 24 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 16417-22-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
| InChIKey | MUBJXZVRYCWZJZ-UHFFFAOYSA-N |
Product Overview
2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione (CAS 16417-22-4), with molecular formula C16H10N2O5S and molecular weight 342.03 g/mol. IUPAC: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione
Property Insights of 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione has 0 hydrogen bond donor(s) and 5 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 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione?
The CAS number of 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione is 16417-22-4.
What is the molecular formula of 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione?
The molecular formula of 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione is C16H10N2O5S.
What is the molecular weight of 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione?
The molecular weight of 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione is 342.03 g/mol.
Where can I buy 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione?
You can request a quote for 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.