2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one
TL;DR: 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one (CAS 7117-31-9) 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.
1-methyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
Also Known As: 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one, Maybridge1_004405, 1-methyl-2,2-dioxo-2, 1-methyl-3,4-dihydro-1H-2, 2-(2-BIPHENYLYLOXY)ETHANOL
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 0.6489 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 492.53345 |
Chemical Identifiers
| CAS Number | 7117-31-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)CS1(=O)=O |
Product Overview
2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one (CAS 7117-31-9), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 1-methyl-2,2-dioxo-2λ6,1-benzothiazin-4-one.
Chemical Property Profile of 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one
Property Insights of 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one
The XLogP value of 0.6489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one. With a topological polar surface area (TPSA) of 54.45 Ų, 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-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 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one?
The CAS number of 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one is 7117-31-9.
What is the molecular formula of 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one?
The molecular formula of 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one is C9H9NO3S.
What is the molecular weight of 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one?
The molecular weight of 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one is 211.03 g/mol.
Where can I buy 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one?
You can request a quote for 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.