1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
TL;DR: 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine (CAS 7668-23-7) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
Also Known As: 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine, BAS 00511611, 3-anilino-1,2-benzisothiazole 1,1-dioxide, 3-anilino-1H-1,2-benzisothiazole-1,1-dione, N-phenyl-1,2-benzisothiazol-3-amine 1,1-dioxide
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 7668-23-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | PMSHCTAHVFWNET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine (CAS 7668-23-7), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine.
Chemical Property Profile of 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
Property Insights of 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine. Following Lipinski's Rule of Five, 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine has 1 hydrogen bond donor(s) and 3 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-N-phenyl-1,2-benzothiazol-3-amine?
The CAS number of 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine is 7668-23-7.
What is the molecular formula of 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine?
The molecular formula of 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine is C13H10N2O2S.
What is the molecular weight of 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine?
The molecular weight of 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine is 258.05 g/mol.
Where can I buy 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine?
You can request a quote for 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine 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-N-phenyl-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.