![2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide structure](/static/products/847/847751-33-1.png)
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 847751-33-1) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]-1H-1,2-BENZISOTHIAZOLE-1,1,3(2H)-TRIONE, 2-[(3,5-dimethylisoxazol-4-yl)methyl]-2-hydrobenzo[d]isothiazole-1,1,3-trione
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 1.63614 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 788.0287 |
Chemical Identifiers
| CAS Number | 847751-33-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 847751-33-1), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 1.63614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 5 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 847751-33-1.
What is the molecular formula of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is C13H12N2O4S.
What is the molecular weight of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 292.05 g/mol.
Where can I buy 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.