Pseudosaccharin chloride
TL;DR: Pseudosaccharin chloride (CAS 567-19-1) is a chemical compound with molecular formula C7H4ClNO2S and molecular weight 200.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1,2-benzothiazole 1,1-dioxide
Also Known As: Pseudosaccharin chloride, 3-Chloro-psi-saccharin, saccharin chloride, 3-chlorobenzoisothiazole 1,1-dioxide, Pseudosaccharinchlorid
| Molecular Formula | C7H4ClNO2S |
|---|---|
| Molecular Weight | 200.97 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.96513 |
| Heavy Atoms | 12 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 567-19-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)Cl |
| InChIKey | VBEJRJPHNPIURV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pseudosaccharin chloride (CAS 567-19-1), with molecular formula C7H4ClNO2S and molecular weight 200.97 g/mol. IUPAC: 3-chloro-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of Pseudosaccharin chloride
Property Insights of Pseudosaccharin chloride
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudosaccharin chloride. With a topological polar surface area (TPSA) of 54.9 Ų, Pseudosaccharin chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudosaccharin chloride has 0 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 Pseudosaccharin chloride?
The CAS number of Pseudosaccharin chloride is 567-19-1.
What is the molecular formula of Pseudosaccharin chloride?
The molecular formula of Pseudosaccharin chloride is C7H4ClNO2S.
What is the molecular weight of Pseudosaccharin chloride?
The molecular weight of Pseudosaccharin chloride is 200.97 g/mol.
Where can I buy Pseudosaccharin chloride?
You can request a quote for Pseudosaccharin chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudosaccharin chloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudosaccharin chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.