1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one
TL;DR: 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one (CAS 6954-54-7) is a chemical compound with molecular formula C20H13NO4S and molecular weight 363.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one
Also Known As: Xanthylsaccharin, 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one, 2-(9H-xanthen-9-yl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 2-(9H-Xanthen-9-yl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione, RefChem:214045
| Molecular Formula | C20H13NO4S |
|---|---|
| Molecular Weight | 363.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.05652 |
| Heavy Atoms | 26 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 6954-54-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)N4C(=O)C5=CC=CC=C5S4(=O)=O |
| InChIKey | LIWBPKQJXWIWLG-UHFFFAOYSA-N |
Product Overview
1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one (CAS 6954-54-7), with molecular formula C20H13NO4S and molecular weight 363.06 g/mol. IUPAC: 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one
Property Insights of 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one
The XLogP value of 3.4 indicates that 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one has 0 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 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one?
The CAS number of 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one is 6954-54-7.
What is the molecular formula of 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one?
The molecular formula of 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one is C20H13NO4S.
What is the molecular weight of 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one?
The molecular weight of 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one is 363.06 g/mol.
Where can I buy 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one?
You can request a quote for 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.