2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid
TL;DR: 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid (CAS 87925-15-3) is a chemical compound with molecular formula C13H14ClN3O5S2 and molecular weight 391.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid
Also Known As: 4-(5-chloro-2-oxo-3 acetyl-1-piperazinesulfonicacid, 2-acetyl-4-(5-chloro-2-oxo-benzothiazol-3-yl)piperazine-1-sulfonic Acid, 2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid
| Molecular Formula | C13H14ClN3O5S2 |
|---|---|
| Molecular Weight | 391.01 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.00635 |
| Heavy Atoms | 24 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 87925-15-3 |
|---|---|
| SMILES | CC(=O)C1CN(CCN1S(=O)(=O)O)N2C3=C(C=CC(=C3)Cl)SC2=O |
| InChIKey | GMWBSXPNXBNKGV-UHFFFAOYSA-N |
Product Overview
2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid (CAS 87925-15-3), with molecular formula C13H14ClN3O5S2 and molecular weight 391.01 g/mol. IUPAC: 2-acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid.
Chemical Property Profile of 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid
Property Insights of 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid
The XLogP value of -1.2 indicates that 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid. Following Lipinski's Rule of Five, 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid has 1 hydrogen bond donor(s) and 8 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-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid?
The CAS number of 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid is 87925-15-3.
What is the molecular formula of 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid?
The molecular formula of 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid is C13H14ClN3O5S2.
What is the molecular weight of 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid?
The molecular weight of 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid is 391.01 g/mol.
Where can I buy 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid?
You can request a quote for 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)piperazine-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.