![N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide structure](/static/products/586/586991-83-5.png)
N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide
TL;DR: N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide (CAS 586991-83-5) is a chemical compound with molecular formula C18H16Cl2N2O4S2 and molecular weight 457.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide, N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-{2-[(3,4-DICHLOROBENZYL)SULFANYL]ETHYL}-2-(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)ACETAMIDE, N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide
| Molecular Formula | C18H16Cl2N2O4S2 |
|---|---|
| Molecular Weight | 457.99 g/mol |
| LogP | 3.1875 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.99286 |
| Heavy Atoms | 28 |
| Complexity | 1027.9957 |
Chemical Identifiers
| CAS Number | 586991-83-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCCSCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide (CAS 586991-83-5), with molecular formula C18H16Cl2N2O4S2 and molecular weight 457.99 g/mol. IUPAC: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide
Property Insights of N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide
The XLogP value of 3.1875 indicates that N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide. Following Lipinski's Rule of Five, N-(2-((3,4-dichlorobenzyl)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-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
The CAS number of N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide is 586991-83-5.
What is the molecular formula of N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
The molecular formula of N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide is C18H16Cl2N2O4S2.
What is the molecular weight of N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
The molecular weight of N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide is 457.99 g/mol.
Where can I buy N-(2-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
You can request a quote for N-(2-((3,4-dichlorobenzyl)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-((3,4-dichlorobenzyl)thio)ethyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((3,4-dichlorobenzyl)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.