2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate
TL;DR: 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate (CAS 23302-99-0) 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.
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl acetate
Also Known As: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl acetate, F3162-0185, 2-(1,1,3-trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate
| Molecular Formula | C11H11NO5S |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 0.3942 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0358 |
| Heavy Atoms | 18 |
| Complexity | 607.6145 |
Chemical Identifiers
| CAS Number | 23302-99-0 |
|---|---|
| SMILES | CC(=O)OCCN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate (CAS 23302-99-0), with molecular formula C11H11NO5S and molecular weight 269.04 g/mol. IUPAC: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl acetate.
Chemical Property Profile of 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate
Property Insights of 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate
The XLogP value of 0.3942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate. Following Lipinski's Rule of Five, 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate 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 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate?
The CAS number of 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate is 23302-99-0.
What is the molecular formula of 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate?
The molecular formula of 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate is C11H11NO5S.
What is the molecular weight of 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate?
The molecular weight of 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate is 269.04 g/mol.
Where can I buy 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate?
You can request a quote for 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate 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-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1,3-Trioxo-2,3-dihydro-1lambda,2-benzothiazol-2-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.