2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide
TL;DR: 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide (CAS 69504-45-6) is a chemical compound with molecular formula C9H6Cl2N2OS and molecular weight 259.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(5-chloro-1,2-benzothiazol-3-yl)acetamide
Also Known As: 2-CHLORO-N- ACETAMIDE, 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide, Acetamide, 2-chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)-, Acetamide,2-chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)-, 2-chloro-N-(5-chloro-1,2-benzothiazol-3-yl)acetamide
| Molecular Formula | C9H6Cl2N2OS |
|---|---|
| Molecular Weight | 259.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.9578 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 69504-45-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=NS2)NC(=O)CCl |
| InChIKey | LGKYTPCSOCBYMZ-UHFFFAOYSA-N |
Product Overview
2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide (CAS 69504-45-6), with molecular formula C9H6Cl2N2OS and molecular weight 259.96 g/mol. IUPAC: 2-chloro-N-(5-chloro-1,2-benzothiazol-3-yl)acetamide.
Chemical Property Profile of 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide
Property Insights of 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide
The XLogP value of 3.1 indicates that 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide. Following Lipinski's Rule of Five, 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide 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 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide?
The CAS number of 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide is 69504-45-6.
What is the molecular formula of 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide?
The molecular formula of 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide is C9H6Cl2N2OS.
What is the molecular weight of 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide?
The molecular weight of 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide is 259.96 g/mol.
Where can I buy 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide?
You can request a quote for 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(5-chloro-1,2-benzisothiazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.