2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide
TL;DR: 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide (CAS 29209-01-6) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
Also Known As: 2-methyl-1,1-dioxo-4H-1, 2-methyl-3,4-dihydro-2H-1, 2-Methyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide, 2-Methyl-2H-benzo[e][1,2]thiazin-3(4H)-one 1,1-dioxide, 2-Methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 29209-01-6 |
|---|---|
| SMILES | CN1C(=O)CC2=CC=CC=C2S1(=O)=O |
| InChIKey | GGPCERYTJXDGOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide (CAS 29209-01-6), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 2-methyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one.
Chemical Property Profile of 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide
Property Insights of 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide. Following Lipinski's Rule of Five, 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide 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 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide?
The CAS number of 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide is 29209-01-6.
What is the molecular formula of 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide?
The molecular formula of 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide is C9H9NO3S.
What is the molecular weight of 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide?
The molecular weight of 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide is 211.03 g/mol.
Where can I buy 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide?
You can request a quote for 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-oxo-2H-1,2-benzothiazine-1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.