ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate
TL;DR: ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate (CAS 1164456-33-0) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2Z)-2-(2-oxo-4H-1,4-benzothiazin-3-ylidene)acetate
Also Known As: ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate, ethyl (2Z)-(2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)ethanoate, (Z)-ethyl 2-(2-oxo-2H-benzo[b][1,4]thiazin-3(4H)-ylidene)acetate, ethyl 2-(2-oxo-4H-benzo[e]1,4-thiazin-3-ylidene)acetate, ethyl (2Z)-2-(2-oxo-4H-1,4-benzothiazin-3-ylidene)acetate
Technical Specifications
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.04596 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 Da |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
| SMILES | CCOC(=O)/C=C\1/C(=O)SC2=CC=CC=C2N1 |
| InChIKey | LMOVKBDIDGBDSC-CLFYSBASSA-N |
Chemical Property Profile of ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate
Property Insights of ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate. Following Lipinski's Rule of Five, ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate?
The CAS number of ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate is 1164456-33-0.
What is the molecular formula of ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate?
The molecular formula of ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate is C12H11NO3S.
What is the molecular weight of ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate?
The molecular weight of ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate is 249.04596 g/mol.
Where can I buy ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate?
You can request a quote for ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.