![2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate structure](/static/products/3393/339320-92-2.webp)
2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate
TL;DR: 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate (CAS 339320-92-2) is a chemical compound with molecular formula C17H14Cl2N2O4S and molecular weight 412.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl 2,4-dichlorobenzoate
Also Known As: 2-((1,1-dioxidobenzo[d]isothiazol-3-yl)(methyl)amino)ethyl 2,4-dichlorobenzoate, 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate, 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate, 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl 2,4-dichlorobenzoate
| Molecular Formula | C17H14Cl2N2O4S |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 3.2311 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.00513 |
| Heavy Atoms | 26 |
| Complexity | 1005.5725 |
Chemical Identifiers
| CAS Number | 339320-92-2 |
|---|---|
| SMILES | CN(CCOC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate (CAS 339320-92-2), with molecular formula C17H14Cl2N2O4S and molecular weight 412.01 g/mol. IUPAC: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl 2,4-dichlorobenzoate.
Chemical Property Profile of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate
Property Insights of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate
The XLogP value of 3.2311 indicates that 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate. Following Lipinski's Rule of Five, 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate has 0 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 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate?
The CAS number of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate is 339320-92-2.
What is the molecular formula of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate?
The molecular formula of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate is C17H14Cl2N2O4S.
What is the molecular weight of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate?
The molecular weight of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate is 412.01 g/mol.
Where can I buy 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate?
You can request a quote for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.