6-Chlorosaccharin
TL;DR: 6-Chlorosaccharin (CAS 46149-10-4) is a chemical compound with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 6-Chlorosaccharin, Saccharin Impurity 9, 6-chloro-1,1-dioxo-1,2-benzothiazol-3-one, 6-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide, 6-Chloro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C7H4ClNO3S |
|---|---|
| Molecular Weight | 216.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.96004 |
| Heavy Atoms | 13 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 46149-10-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)S(=O)(=O)NC2=O |
| InChIKey | QQRRMRLXOFZGIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chlorosaccharin (CAS 46149-10-4), with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol. IUPAC: 6-chloro-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 6-Chlorosaccharin
Property Insights of 6-Chlorosaccharin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chlorosaccharin. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chlorosaccharin. Following Lipinski's Rule of Five, 6-Chlorosaccharin has 1 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 6-Chlorosaccharin?
The CAS number of 6-Chlorosaccharin is 46149-10-4.
What is the molecular formula of 6-Chlorosaccharin?
The molecular formula of 6-Chlorosaccharin is C7H4ClNO3S.
What is the molecular weight of 6-Chlorosaccharin?
The molecular weight of 6-Chlorosaccharin is 216.96 g/mol.
Where can I buy 6-Chlorosaccharin?
You can request a quote for 6-Chlorosaccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chlorosaccharin?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorosaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.