2H-1,4-Benzothiazin-3(4H)-one 1-oxide
TL;DR: 2H-1,4-Benzothiazin-3(4H)-one 1-oxide (CAS 2392970-10-2) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-4H-1λ4,4-benzothiazin-3-one
Also Known As: 1-oxo-4H-1, 2H-1,4-Benzothiazin-3(4H)-one 1-oxide, E?,4-benzothiazin-3-one, NCI60_014199, 1-Oxo-2H-1,4-Benzothiazin-3(4H)-one
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 2392970-10-2 |
|---|---|
| SMILES | C1C(=O)NC2=CC=CC=C2S1=O |
| InChIKey | ZMXXJTYWZJLIKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1,4-Benzothiazin-3(4H)-one 1-oxide (CAS 2392970-10-2), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: 1-oxo-4H-1λ4,4-benzothiazin-3-one.
Chemical Property Profile of 2H-1,4-Benzothiazin-3(4H)-one 1-oxide
Property Insights of 2H-1,4-Benzothiazin-3(4H)-one 1-oxide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzothiazin-3(4H)-one 1-oxide. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzothiazin-3(4H)-one 1-oxide. Following Lipinski's Rule of Five, 2H-1,4-Benzothiazin-3(4H)-one 1-oxide has 1 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 2H-1,4-Benzothiazin-3(4H)-one 1-oxide?
The CAS number of 2H-1,4-Benzothiazin-3(4H)-one 1-oxide is 2392970-10-2.
What is the molecular formula of 2H-1,4-Benzothiazin-3(4H)-one 1-oxide?
The molecular formula of 2H-1,4-Benzothiazin-3(4H)-one 1-oxide is C8H7NO2S.
What is the molecular weight of 2H-1,4-Benzothiazin-3(4H)-one 1-oxide?
The molecular weight of 2H-1,4-Benzothiazin-3(4H)-one 1-oxide is 181.02 g/mol.
Where can I buy 2H-1,4-Benzothiazin-3(4H)-one 1-oxide?
You can request a quote for 2H-1,4-Benzothiazin-3(4H)-one 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzothiazin-3(4H)-one 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzothiazin-3(4H)-one 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.