4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid
TL;DR: 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid (CAS 89139-50-4) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid
Also Known As: Benzisothiazolone analog, 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid, 4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid, 4-(3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 89139-50-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2)CCCC(=O)O |
| InChIKey | XEAFJQMIKUQLNM-UHFFFAOYSA-N |
Product Overview
4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid (CAS 89139-50-4), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: 4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid.
Chemical Property Profile of 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid
Property Insights of 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic 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 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid?
The CAS number of 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid is 89139-50-4.
What is the molecular formula of 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid?
The molecular formula of 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid is C11H11NO3S.
What is the molecular weight of 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid?
The molecular weight of 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid is 237.05 g/mol.
Where can I buy 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid?
You can request a quote for 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.