![2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid structure](/static/products/1089/108950-06-7.webp)
2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid
TL;DR: 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid (CAS 108950-06-7) is a chemical compound with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoic acid
Also Known As: BAS 00511622, 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoic acid, 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid, 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]benzoic acid, 2-((1,1-Dioxidobenzo[d]isothiazol-3(2H)-ylidene)amino)benzoic acid
| Molecular Formula | C14H10N2O4S |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.03613 |
| Heavy Atoms | 21 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 108950-06-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=CC=C3C(=O)O |
| InChIKey | SSUZPRZTWRFTLE-UHFFFAOYSA-N |
Product Overview
2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid (CAS 108950-06-7), with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol. IUPAC: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoic acid.
Chemical Property Profile of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid
Property Insights of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid has 2 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 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid?
The CAS number of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid is 108950-06-7.
What is the molecular formula of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid?
The molecular formula of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid is C14H10N2O4S.
What is the molecular weight of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid?
The molecular weight of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid is 302.04 g/mol.
Where can I buy 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid?
You can request a quote for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.