![1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone structure](/static/products/808/80838-96-6.png)
1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone
TL;DR: 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone (CAS 80838-96-6) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S)-4-methyl-1-oxo-1λ4,4-benzothiazin-2-yl]ethanone
Also Known As: 1-(4-methyl-1-oxo-1, 1-(4-Methyl-1-oxo-1lambda4,4-benzothiazin-2-yl)ethanone, 2-Acetyl-4-methyl-1lambda~4~,4-benzothiazin-1(4H)-one
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 80838-96-6 |
|---|---|
| SMILES | CC(=O)C1=CN(C2=CC=CC=C2[S@@]1=O)C |
| InChIKey | DJZLTEWZKAOFNE-HNNXBMFYSA-N |
Product Overview
1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone (CAS 80838-96-6), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 1-[(1S)-4-methyl-1-oxo-1λ4,4-benzothiazin-2-yl]ethanone.
Chemical Property Profile of 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone
Property Insights of 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone. Following Lipinski's Rule of Five, 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone has 0 hydrogen bond donor(s) and 3 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-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone?
The CAS number of 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone is 80838-96-6.
What is the molecular formula of 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone?
The molecular formula of 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone is C11H11NO2S.
What is the molecular weight of 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone?
The molecular weight of 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone is 221.05 g/mol.
Where can I buy 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone?
You can request a quote for 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1S)-4-methyl-1-oxo-1lambda4,4-benzothiazin-2-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.