2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide
TL;DR: 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide (CAS 2799-68-0) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
Also Known As: 1,1-dioxo-4H-1, 2H-1,4-BENZOTHIAZIN-3(4H)-ONE 1,1-DIOXIDE, 2H-1,4-Benzothiazin-3(4H)-one, 1,1-dioxide, 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one, 1P-302S
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 0.4124 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 464.0324 |
Chemical Identifiers
| CAS Number | 2799-68-0 |
|---|---|
| SMILES | C1C(=O)NC2=CC=CC=C2S1(=O)=O |
Product Overview
2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide (CAS 2799-68-0), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: 1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.
Chemical Property Profile of 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide
Property Insights of 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide
The XLogP value of 0.4124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide 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 1,1-dioxide?
The CAS number of 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide is 2799-68-0.
What is the molecular formula of 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide?
The molecular formula of 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide is C8H7NO3S.
What is the molecular weight of 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide?
The molecular weight of 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide is 197.01 g/mol.
Where can I buy 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide?
You can request a quote for 2H-1,4-Benzothiazin-3(4H)-one 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 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzothiazin-3(4H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.