![3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate structure](/static/products/144/1449236-96-7.png)
3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate
TL;DR: 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate (CAS 1449236-96-7) is a chemical compound with molecular formula C15H11ClN2O4S and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-chloroacetate
Also Known As: 3-[(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)AMINO]PHENYL CHLOROACETATE, [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-chloroacetate, 3-((1,1-Dioxidobenzo[d]isothiazol-3-yl)amino)phenyl 2-chloroacetate, 3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]phenyl 2-chloroacetate, 3-[(1,1-DIOXO-1??,2-BENZOTHIAZOL-3-YL)AMINO]PHENYL 2-CHLOROACETATE
| Molecular Formula | C15H11ClN2O4S |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | 2.3918 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.01282 |
| Heavy Atoms | 23 |
| Complexity | 909.1978 |
Chemical Identifiers
| CAS Number | 1449236-96-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)CCl |
Product Overview
3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate (CAS 1449236-96-7), with molecular formula C15H11ClN2O4S and molecular weight 350.01 g/mol. IUPAC: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-chloroacetate.
Chemical Property Profile of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate
Property Insights of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate
The XLogP value of 2.3918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate. Following Lipinski's Rule of Five, 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate has 1 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 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate?
The CAS number of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate is 1449236-96-7.
What is the molecular formula of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate?
The molecular formula of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate is C15H11ClN2O4S.
What is the molecular weight of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate?
The molecular weight of 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate is 350.01 g/mol.
Where can I buy 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate?
You can request a quote for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)amino]phenyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.