1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide
TL;DR: 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide (CAS 10312-42-2) is a chemical compound with molecular formula C11H11NO5S and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid
Also Known As: 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide, 2-(1-Carboxyprop-3-yl)sulfobenzimid, 4-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid, ASN 14404906, 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid
| Molecular Formula | C11H11NO5S |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 0.6959 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0358 |
| Heavy Atoms | 18 |
| Complexity | 607.6145 |
Chemical Identifiers
| CAS Number | 10312-42-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC(=O)O |
Product Overview
1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide (CAS 10312-42-2), with molecular formula C11H11NO5S and molecular weight 269.04 g/mol. IUPAC: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid.
Chemical Property Profile of 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide
Property Insights of 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide
The XLogP value of 0.6959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide 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 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide is 10312-42-2.
What is the molecular formula of 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide is C11H11NO5S.
What is the molecular weight of 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide is 269.04 g/mol.
Where can I buy 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.