1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one
TL;DR: 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one (CAS 15246-95-4) is a chemical compound with molecular formula C15H11NO4S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-phenacyl-1,2-benzothiazol-3-one
Also Known As: N-phenacylsaccharin, N-Benzoylmethyl saccharin, ChemDiv1_005962, 1,1-dioxo-2-phenacyl-1,2-benzothiazol-3-one, 2-(2-oxo-2-phenylethyl)-2,3-dihydro-1
| Molecular Formula | C15H11NO4S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0409 |
| Heavy Atoms | 21 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 15246-95-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
| InChIKey | QJWQWSQZQFNGQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one (CAS 15246-95-4), with molecular formula C15H11NO4S and molecular weight 301.04 g/mol. IUPAC: 1,1-dioxo-2-phenacyl-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one
Property Insights of 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 1,1-Dioxo-2-phenacyl-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-phenacyl-1,2-benzothiazol-3-one?
The CAS number of 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one is 15246-95-4.
What is the molecular formula of 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one?
The molecular formula of 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one is C15H11NO4S.
What is the molecular weight of 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one?
The molecular weight of 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one is 301.04 g/mol.
Where can I buy 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one?
You can request a quote for 1,1-Dioxo-2-phenacyl-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-phenacyl-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.