1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide
TL;DR: 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide (CAS 132636-65-8) is a chemical compound with molecular formula C13H8N2O5S and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenoxy)-1,2-benzothiazole 1,1-dioxide
Also Known As: 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide, 1-(3-Chloro-propoxy)-3-nitro-benzene, 3-(4-nitrophenoxy)-1,2-benzothiazole 1,1-dioxide, 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-dioxide, 3-(4-Nitrophenoxy)-1H-1lambda~6~,2-benzothiazole-1,1-dione
| Molecular Formula | C13H8N2O5S |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 2.1227 |
| Topological Polar Surface Area | 98.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.01538 |
| Heavy Atoms | 21 |
| Complexity | 856.3853 |
Chemical Identifiers
| CAS Number | 132636-65-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide (CAS 132636-65-8), with molecular formula C13H8N2O5S and molecular weight 304.02 g/mol. IUPAC: 3-(4-nitrophenoxy)-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide
Property Insights of 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide
The XLogP value of 2.1227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide. The TPSA of 98.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 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 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide is 132636-65-8.
What is the molecular formula of 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide is C13H8N2O5S.
What is the molecular weight of 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide is 304.02 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 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 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.