2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one (CAS 7499-96-9) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: Butylbenisothiazolene, n-Butylsaccharin, 2-butyl-1,1-dioxo-1,2-benzothiazol-3-one, 2-Butylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide, BIM-0023395.P001
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 7499-96-9 |
|---|---|
| SMILES | CCCCN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | OVHVVWXDKDMZQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one (CAS 7499-96-9), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-butyl-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one has 0 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 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one is 7499-96-9.
What is the molecular formula of 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one is C11H13NO3S.
What is the molecular weight of 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one is 239.06 g/mol.
Where can I buy 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-Butyl-1,1-dioxo-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 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.