![4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate structure](/static/products/3134/313481-09-3.webp)
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate
TL;DR: 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate (CAS 313481-09-3) is a chemical compound with molecular formula C21H15FN2O4S and molecular weight 410.07 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-fluorobenzoate
Also Known As: A1553/0067623, [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 2-fluorobenzoate, 4-((1,1-dioxidobenzo[d]isothiazol-3-yl)(methyl)amino)phenyl 2-fluorobenzoate, 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate, 4-[(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)(METHYL)AMINO]PHENYL 2-FLUOROBENZOATE
| Molecular Formula | C21H15FN2O4S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.6302 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.07367 |
| Heavy Atoms | 29 |
| Complexity | 1237.5458 |
Chemical Identifiers
| CAS Number | 313481-09-3 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2F)C3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate (CAS 313481-09-3), with molecular formula C21H15FN2O4S and molecular weight 410.07 g/mol. IUPAC: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 2-fluorobenzoate.
Chemical Property Profile of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate
Property Insights of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate
The XLogP value of 3.6302 indicates that 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate 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-fluorobenzoate. Following Lipinski's Rule of Five, 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate 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-fluorobenzoate?
The CAS number of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate is 313481-09-3.
What is the molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate?
The molecular formula of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate is C21H15FN2O4S.
What is the molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate?
The molecular weight of 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate is 410.07 g/mol.
Where can I buy 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate?
You can request a quote for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate 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-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.