ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate
TL;DR: ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate (CAS 67431-59-8) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(4-oxo-1,3-benzothiazin-2-ylidene)acetate
Also Known As: J2.633.485C, ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate, ethyl 2-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetate, ethyl (2Z)-2-(4-oxo-1,3-benzothiazin-2-ylidene)acetate, Ethyl 2-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 1.9266 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 496.27905 |
Chemical Identifiers
| CAS Number | 67431-59-8 |
|---|---|
| SMILES | CCOC(=O)/C=C\1/NC(=O)C2=CC=CC=C2S1 |
Product Overview
ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate (CAS 67431-59-8), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: ethyl (2Z)-2-(4-oxo-1,3-benzothiazin-2-ylidene)acetate.
Chemical Property Profile of ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate
Property Insights of ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate
The XLogP value of 1.9266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate 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 ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate?
The CAS number of ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate is 67431-59-8.
What is the molecular formula of ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate?
The molecular formula of ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate is C12H11NO3S.
What is the molecular weight of ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate?
The molecular weight of ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate is 249.05 g/mol.
Where can I buy ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate?
You can request a quote for ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-(4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.