![N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide structure](/static/products/577/577698-93-2.png)
N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide
TL;DR: N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide (CAS 577698-93-2) is a chemical compound with molecular formula C18H16ClFN2O4S2 and molecular weight 442.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide, N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-{2-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]ETHYL}-2-(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)ACETAMIDE, N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide
| Molecular Formula | C18H16ClFN2O4S2 |
|---|---|
| Molecular Weight | 442.02 g/mol |
| LogP | 2.6732 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.0224 |
| Heavy Atoms | 28 |
| Complexity | 1009.7457 |
Chemical Identifiers
| CAS Number | 577698-93-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCCSCC3=C(C=CC=C3Cl)F |
Product Overview
N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide (CAS 577698-93-2), with molecular formula C18H16ClFN2O4S2 and molecular weight 442.02 g/mol. IUPAC: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide
Property Insights of N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide
The XLogP value of 2.6732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide. Following Lipinski's Rule of Five, N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide has 1 hydrogen bond donor(s) and 5 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-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
The CAS number of N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide is 577698-93-2.
What is the molecular formula of N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
The molecular formula of N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide is C18H16ClFN2O4S2.
What is the molecular weight of N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
The molecular weight of N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide is 442.02 g/mol.
Where can I buy N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
You can request a quote for N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-chloro-6-fluorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.