2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 2346-86-3) is a chemical compound with molecular formula C15H11NO5S and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-(2-phenoxyacetyl)-1,2-benzothiazol-3-one
Also Known As: Phenoxyacetylsaccharin, 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 1,1-dioxo-2-(2-phenoxyacetyl)-1,2-benzothiazol-3-one, 1,2-Benzisothiazol-3(2H)-one, 2-(phenoxyacetyl)-, 1,1-dioxide, 2-(phenoxyacetyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C15H11NO5S |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 1.4367 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0358 |
| Heavy Atoms | 22 |
| Complexity | 845.24634 |
Chemical Identifiers
| CAS Number | 2346-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 2346-86-3), with molecular formula C15H11NO5S and molecular weight 317.04 g/mol. IUPAC: 1,1-dioxo-2-(2-phenoxyacetyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 1.4367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide 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-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 2346-86-3.
What is the molecular formula of 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide is C15H11NO5S.
What is the molecular weight of 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 317.04 g/mol.
Where can I buy 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(phenoxyacetyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.