1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one
TL;DR: 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one (CAS 92608-29-2) is a chemical compound with molecular formula C11H11NOS and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-1,4-benzothiazin-2-yl)ethanone
Also Known As: 1-(4-methyl-1,4-benzothiazin-2-yl)ethanone, 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one, RefChem:225417
| Molecular Formula | C11H11NOS |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.05614 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 92608-29-2 |
|---|---|
| SMILES | CC(=O)C1=CN(C2=CC=CC=C2S1)C |
| InChIKey | WFTAGGLAWSTHDP-UHFFFAOYSA-N |
Product Overview
1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one (CAS 92608-29-2), with molecular formula C11H11NOS and molecular weight 205.06 g/mol. IUPAC: 1-(4-methyl-1,4-benzothiazin-2-yl)ethanone.
Chemical Property Profile of 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one
Property Insights of 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one. With a topological polar surface area (TPSA) of 45.6 Ų, 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one 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-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one?
The CAS number of 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one is 92608-29-2.
What is the molecular formula of 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one?
The molecular formula of 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one is C11H11NOS.
What is the molecular weight of 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one?
The molecular weight of 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one is 205.06 g/mol.
Where can I buy 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one?
You can request a quote for 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.