6-Nitrosaccharin
TL;DR: 6-Nitrosaccharin (CAS 22952-24-5) is a chemical compound with molecular formula C7H4N2O5S and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 6-Nitrosaccharin, 6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide, 6-nitro-1,1-dioxo-1,2-benzothiazol-3-one, 1,2-Benzisothiazol-3(2H)-one, 6-nitro-, 1,1-dioxide, 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
| Molecular Formula | C7H4N2O5S |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.98409 |
| Heavy Atoms | 15 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 22952-24-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=O |
| InChIKey | HZZFBUZSKAVIOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitrosaccharin (CAS 22952-24-5), with molecular formula C7H4N2O5S and molecular weight 227.98 g/mol. IUPAC: 6-nitro-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 6-Nitrosaccharin
Property Insights of 6-Nitrosaccharin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitrosaccharin. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitrosaccharin. Following Lipinski's Rule of Five, 6-Nitrosaccharin has 1 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 6-Nitrosaccharin?
The CAS number of 6-Nitrosaccharin is 22952-24-5.
What is the molecular formula of 6-Nitrosaccharin?
The molecular formula of 6-Nitrosaccharin is C7H4N2O5S.
What is the molecular weight of 6-Nitrosaccharin?
The molecular weight of 6-Nitrosaccharin is 227.98 g/mol.
Where can I buy 6-Nitrosaccharin?
You can request a quote for 6-Nitrosaccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitrosaccharin?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitrosaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.