![3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid structure](/static/products/812/812642-07-2.png)
3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid
TL;DR: 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid (CAS 812642-07-2) is a chemical compound with molecular formula C16H12N2O4S and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoic acid
Also Known As: 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid, 3-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoic acid, 3-[[2-(2-oxobenzothiazol-3-yl)acetyl]amino]benzoic Acid, 3-(2-(2-Oxobenzo[d]thiazol-3(2H)-yl)acetamido)benzoic acid, 3-[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]benzoic acid
| Molecular Formula | C16H12N2O4S |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 2.3999 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0518 |
| Heavy Atoms | 23 |
| Complexity | 957.86865 |
Chemical Identifiers
| CAS Number | 812642-07-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid (CAS 812642-07-2), with molecular formula C16H12N2O4S and molecular weight 328.05 g/mol. IUPAC: 3-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid
Property Insights of 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid
The XLogP value of 2.3999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 4 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 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid?
The CAS number of 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid is 812642-07-2.
What is the molecular formula of 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid?
The molecular formula of 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid is C16H12N2O4S.
What is the molecular weight of 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid?
The molecular weight of 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid is 328.05 g/mol.
Where can I buy 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid?
You can request a quote for 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]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 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.