4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one
TL;DR: 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one (CAS 21069-05-6) 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.
4-hydroxy-1,4-benzothiazin-3-one
Also Known As: 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one, 4-hydroxy-1,4-benzothiazin-3-one, 2H-1,4-Benzothiazin-3(4H)-one, 4-hydroxy-, 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one #, 4-hydroxy-2H-benzo[b][1,4]thiazin-3(4H)-one
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 21069-05-6 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2S1)O |
| InChIKey | DPPUGUKGSWBKRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one (CAS 21069-05-6), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: 4-hydroxy-1,4-benzothiazin-3-one.
Chemical Property Profile of 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one
Property Insights of 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one. Following Lipinski's Rule of Five, 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one 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 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one?
The CAS number of 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one is 21069-05-6.
What is the molecular formula of 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one?
The molecular formula of 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one is C8H7NO2S.
What is the molecular weight of 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one?
The molecular weight of 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one is 181.02 g/mol.
Where can I buy 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one?
You can request a quote for 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.