![2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid structure](/static/products/5213/521318-69-4.webp)
2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid
TL;DR: 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid (CAS 521318-69-4) is a chemical compound with molecular formula C20H14N2O5S2 and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid
Also Known As: 2-[[3-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid, BRD-K54070802-001-12-8, 2-((3-(3-Oxobenzo[d]isothiazol-2(3H)-yl)phenyl)sulfonamido)benzoic acid, 2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid, 2-[[3-(3-oxidanylidene-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid
| Molecular Formula | C20H14N2O5S2 |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 3.5512 |
| Topological Polar Surface Area | 105.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.03442 |
| Heavy Atoms | 29 |
| Complexity | 1403.6714 |
Chemical Identifiers
| CAS Number | 521318-69-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O |
Product Overview
2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid (CAS 521318-69-4), with molecular formula C20H14N2O5S2 and molecular weight 426.03 g/mol. IUPAC: 2-[[3-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid
Property Insights of 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid
The XLogP value of 3.5512 indicates that 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid. Following Lipinski's Rule of Five, 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]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-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid?
The CAS number of 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid is 521318-69-4.
What is the molecular formula of 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid?
The molecular formula of 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid is C20H14N2O5S2.
What is the molecular weight of 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid?
The molecular weight of 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid is 426.03 g/mol.
Where can I buy 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid?
You can request a quote for 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]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-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.