![4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate structure](/static/products/2948/294877-04-6.webp)
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate
TL;DR: 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate (CAS 294877-04-6) is a chemical compound with molecular formula C21H15ClN2O4S and molecular weight 426.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 2-chlorobenzoate
Also Known As: A1666/0070992, [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 2-chlorobenzoate, 4-((1,1-dioxidobenzo[d]isothiazol-3-yl)(methyl)amino)phenyl 2-chlorobenzoate, 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate, 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate
| Molecular Formula | C21H15ClN2O4S |
|---|---|
| Molecular Weight | 426.04 g/mol |
| LogP | 4.1445 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.0441 |
| Heavy Atoms | 29 |
| Complexity | 1237.5458 |
Chemical Identifiers
| CAS Number | 294877-04-6 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Cl)C3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate (CAS 294877-04-6), with molecular formula C21H15ClN2O4S and molecular weight 426.04 g/mol. IUPAC: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 2-chlorobenzoate.
Chemical Property Profile of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate
Property Insights of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate
The XLogP value of 4.1445 indicates that 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate 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 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate 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 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate?
The CAS number of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate is 294877-04-6.
What is the molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate?
The molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate is C21H15ClN2O4S.
What is the molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate?
The molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate is 426.04 g/mol.
Where can I buy 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate?
You can request a quote for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.