1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide
TL;DR: 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide (CAS 76508-37-7) is a chemical compound with molecular formula C12H13NO5S and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
Also Known As: Piroxicam Impurity F, Piroxicam EP impurity F, Saccharin N-(2-acetic acid isopropyl ester), Saccharin Impurity 5, Piroxicam impurity F [EP]
| Molecular Formula | C12H13NO5S |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 0.7827 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.05145 |
| Heavy Atoms | 19 |
| Complexity | 635.2748 |
Chemical Identifiers
| CAS Number | 76508-37-7 |
|---|---|
| SMILES | CC(C)OC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide (CAS 76508-37-7), with molecular formula C12H13NO5S and molecular weight 283.05 g/mol. IUPAC: propan-2-yl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate.
Chemical Property Profile of 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide
Property Insights of 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide
The XLogP value of 0.7827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide has 0 hydrogen bond donor(s) and 5 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)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide is 76508-37-7.
What is the molecular formula of 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide is C12H13NO5S.
What is the molecular weight of 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide is 283.05 g/mol.
Where can I buy 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 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)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.