![ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate structure](/static/products/5685/568548-32-3.webp)
ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate
TL;DR: ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate (CAS 568548-32-3) is a chemical compound with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate
Also Known As: BAS 06303530, ethyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate, ethyl 2-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)benzoate, ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate, ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}benzoate
| Molecular Formula | C18H16N2O6S |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 1.6465 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.0729 |
| Heavy Atoms | 27 |
| Complexity | 1031.6523 |
Chemical Identifiers
| CAS Number | 568548-32-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate (CAS 568548-32-3), with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol. IUPAC: ethyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate
Property Insights of ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate
The XLogP value of 1.6465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate has 1 hydrogen bond donor(s) and 6 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 ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
The CAS number of ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate is 568548-32-3.
What is the molecular formula of ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
The molecular formula of ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate is C18H16N2O6S.
What is the molecular weight of ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
The molecular weight of ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate is 388.07 g/mol.
Where can I buy ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
You can request a quote for ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.