![2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide structure](/static/products/898/898653-12-8.png)
2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 898653-12-8) is a chemical compound with molecular formula C15H11N5O3S and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[(1-phenyltetrazol-5-yl)methyl]-1,2-benzothiazol-3-one
Also Known As: 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 1,1-dioxo-2-[(1-phenyltetrazol-5-yl)methyl]-1,2-benzothiazol-3-one, 2-((1-phenyl-1H-tetrazol-5-yl)methyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-[(1-PHENYL-1H-1,2,3,4-TETRAAZOL-5-YL)METHYL]-1H-1,2-BENZISOTHIAZOLE-1,1,3(2H)-TRIONE
| Molecular Formula | C15H11N5O3S |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 1.007 |
| Topological Polar Surface Area | 98.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.05826 |
| Heavy Atoms | 24 |
| Complexity | 1030.0278 |
Chemical Identifiers
| CAS Number | 898653-12-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 898653-12-8), with molecular formula C15H11N5O3S and molecular weight 341.06 g/mol. IUPAC: 1,1-dioxo-2-[(1-phenyltetrazol-5-yl)methyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 1.007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. The TPSA of 98.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 6 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-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 898653-12-8.
What is the molecular formula of 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is C15H11N5O3S.
What is the molecular weight of 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 341.06 g/mol.
Where can I buy 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-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-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.