2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS 7499-97-0) 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-(2-methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: BAS 01811873, 2-(2-methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one, 2-isobutyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 2-(2-Methylpropyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione, 2-Isobutyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 7499-97-0 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | UWUTVMFWEYTQMI-UHFFFAOYSA-N |
Product Overview
2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS 7499-97-0), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-(2-methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methylpropyl)-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-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 2-(2-Methylpropyl)-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-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one is 7499-97-0.
What is the molecular formula of 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one is C11H13NO3S.
What is the molecular weight of 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one is 239.06 g/mol.
Where can I buy 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-(2-Methylpropyl)-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-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methylpropyl)-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.