![Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate structure](/static/products/4970/497088-59-2.webp)
Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate
TL;DR: Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate (CAS 497088-59-2) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
Also Known As: BAS 13689623, methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate, Methyl 3-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)benzoate, methyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate, D257-0705
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 497088-59-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | IMTJHKSCOZHINM-UHFFFAOYSA-N |
Product Overview
Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate (CAS 497088-59-2), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: methyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate.
Chemical Property Profile of Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate
Property Insights of Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate has 1 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 Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate?
The CAS number of Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate is 497088-59-2.
What is the molecular formula of Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate?
The molecular formula of Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate is C15H12N2O4S.
What is the molecular weight of Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate?
The molecular weight of Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate is 316.05 g/mol.
Where can I buy Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate?
You can request a quote for Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)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 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.