![2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid structure](/static/products/866/866153-03-9.png)
2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid
TL;DR: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid (CAS 866153-03-9) is a chemical compound with molecular formula C15H11NO5S and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid
Also Known As: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid, 2-[(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)methyl]benzenecarboxylic acid, 2-[(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)methyl]benzoic acid, 2-[(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)methyl]benzoic Acid
| Molecular Formula | C15H11NO5S |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 1.7295 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0358 |
| Heavy Atoms | 22 |
| Complexity | 888.3107 |
Chemical Identifiers
| CAS Number | 866153-03-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)O |
Product Overview
2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid (CAS 866153-03-9), with molecular formula C15H11NO5S and molecular weight 317.04 g/mol. IUPAC: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid.
Chemical Property Profile of 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid
Property Insights of 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid
The XLogP value of 1.7295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid has 1 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 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid?
The CAS number of 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid is 866153-03-9.
What is the molecular formula of 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid?
The molecular formula of 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid is C15H11NO5S.
What is the molecular weight of 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid?
The molecular weight of 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid is 317.04 g/mol.
Where can I buy 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid?
You can request a quote for 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]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-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.