![3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid structure](/static/products/892/892677-17-7.png)
3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid
TL;DR: 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid (CAS 892677-17-7) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-oxo-1,3-benzothiazol-3-yl)propanoylamino]benzoic acid
Also Known As: 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid, 3-(3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanamido)benzoic acid, 3-[3-(2-oxobenzothiazol-3-yl)propanoylamino]benzoic Acid, 3-[3-(2-oxo-1,3-benzothiazol-3-yl)propanoylamino]benzoic acid, 3-[3-(2-OXO-1,3-BENZOTHIAZOL-3-YL)PROPANAMIDO]BENZOIC ACID
| Molecular Formula | C17H14N2O4S |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 2.79 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0674 |
| Heavy Atoms | 24 |
| Complexity | 973.88104 |
Chemical Identifiers
| CAS Number | 892677-17-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid (CAS 892677-17-7), with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol. IUPAC: 3-[3-(2-oxo-1,3-benzothiazol-3-yl)propanoylamino]benzoic acid.
Chemical Property Profile of 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid
Property Insights of 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid
The XLogP value of 2.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]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-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid?
The CAS number of 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid is 892677-17-7.
What is the molecular formula of 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid?
The molecular formula of 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid is C17H14N2O4S.
What is the molecular weight of 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid?
The molecular weight of 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid is 342.07 g/mol.
Where can I buy 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid?
You can request a quote for 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]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-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.