![methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate structure](/static/products/4744/474480-20-1.webp)
methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate
TL;DR: methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate (CAS 474480-20-1) is a chemical compound with molecular formula C17H14N2O6S and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate
Also Known As: CBKinase1_003715, CBKinase1_016115, BAS 06162775, methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate, VU0183260-5
| Molecular Formula | C17H14N2O6S |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 1.2564 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.05725 |
| Heavy Atoms | 26 |
| Complexity | 1015.4181 |
Chemical Identifiers
| CAS Number | 474480-20-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate (CAS 474480-20-1), with molecular formula C17H14N2O6S and molecular weight 374.06 g/mol. IUPAC: methyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate
Property Insights of methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate
The XLogP value of 1.2564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 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 methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 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 methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
The CAS number of methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate is 474480-20-1.
What is the molecular formula of methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
The molecular formula of methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate is C17H14N2O6S.
What is the molecular weight of methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
The molecular weight of methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate is 374.06 g/mol.
Where can I buy methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
You can request a quote for methyl 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 methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 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.