N-1,2-Benzisothiazol-3-yl-2-chloroacetamide
TL;DR: N-1,2-Benzisothiazol-3-yl-2-chloroacetamide (CAS 69504-29-6) is a chemical compound with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2-benzothiazol-3-yl)-2-chloroacetamide
Also Known As: N-1,2-Benzisothiazol-3-yl-2-chloroacetamide, N-(1,2-benzothiazol-3-yl)-2-chloroacetamide, Acetamide, N-1,2-benzisothiazol-3-yl-2-chloro-, 2-chloro-N-benzo[d]isothiazol-3-yl acetamide, Acetamide,N-1,2-benzisothiazol-3-yl-2-chloro-
| Molecular Formula | C9H7ClN2OS |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.99677 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 69504-29-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2)NC(=O)CCl |
| InChIKey | RBVVQDIPVOTOHL-UHFFFAOYSA-N |
Product Overview
N-1,2-Benzisothiazol-3-yl-2-chloroacetamide (CAS 69504-29-6), with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol. IUPAC: N-(1,2-benzothiazol-3-yl)-2-chloroacetamide.
Chemical Property Profile of N-1,2-Benzisothiazol-3-yl-2-chloroacetamide
Property Insights of N-1,2-Benzisothiazol-3-yl-2-chloroacetamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,2-Benzisothiazol-3-yl-2-chloroacetamide. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,2-Benzisothiazol-3-yl-2-chloroacetamide. Following Lipinski's Rule of Five, N-1,2-Benzisothiazol-3-yl-2-chloroacetamide 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 N-1,2-Benzisothiazol-3-yl-2-chloroacetamide?
The CAS number of N-1,2-Benzisothiazol-3-yl-2-chloroacetamide is 69504-29-6.
What is the molecular formula of N-1,2-Benzisothiazol-3-yl-2-chloroacetamide?
The molecular formula of N-1,2-Benzisothiazol-3-yl-2-chloroacetamide is C9H7ClN2OS.
What is the molecular weight of N-1,2-Benzisothiazol-3-yl-2-chloroacetamide?
The molecular weight of N-1,2-Benzisothiazol-3-yl-2-chloroacetamide is 226.00 g/mol.
Where can I buy N-1,2-Benzisothiazol-3-yl-2-chloroacetamide?
You can request a quote for N-1,2-Benzisothiazol-3-yl-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1,2-Benzisothiazol-3-yl-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-1,2-Benzisothiazol-3-yl-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.