![1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone structure](/static/products/1086/108666-42-8.webp)
1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone
TL;DR: 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone (CAS 108666-42-8) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone
Also Known As: D257-0717, 1-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone, 1-{4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl}ethanone, 3-(4-ACETYLANILINO)-1H-1,2-BENZISOTHIAZOLE-1,1-DIONE, 1-acetyl-4-[(1,1-dioxobenzo[d]1,2-thiazolin-3-yl)amino]benzene
| Molecular Formula | C15H12N2O3S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.05685 |
| Heavy Atoms | 21 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 108666-42-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | BTADRIYUJFKFFB-UHFFFAOYSA-N |
Product Overview
1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone (CAS 108666-42-8), with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol. IUPAC: 1-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone.
Chemical Property Profile of 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone
Property Insights of 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone. Following Lipinski's Rule of Five, 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone 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 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone?
The CAS number of 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone is 108666-42-8.
What is the molecular formula of 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone?
The molecular formula of 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone is C15H12N2O3S.
What is the molecular weight of 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone?
The molecular weight of 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone is 300.06 g/mol.
Where can I buy 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone?
You can request a quote for 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.