3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
TL;DR: 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide (CAS 1698-79-9) is a chemical compound with molecular formula C10H9NO4S and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1,1-dioxo-2,3-dihydro-1λ6,2-benzothiazin-4-one
Also Known As: 3-acetyl-1,1-dioxo-2,3-dihydro-1, 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide, 3-Acetyl-2H-1,2-benzothiazin-4(3H)one-1,1-dioxide, 3-acetyl-3,4-dihydro-2H-1??,2-benzothiazine-1,1,4-trione
| Molecular Formula | C10H9NO4S |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 0.1188 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.02522 |
| Heavy Atoms | 16 |
| Complexity | 576.23676 |
Chemical Identifiers
| CAS Number | 1698-79-9 |
|---|---|
| SMILES | CC(=O)C1C(=O)C2=CC=CC=C2S(=O)(=O)N1 |
Product Overview
3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide (CAS 1698-79-9), with molecular formula C10H9NO4S and molecular weight 239.03 g/mol. IUPAC: 3-acetyl-1,1-dioxo-2,3-dihydro-1λ6,2-benzothiazin-4-one.
Chemical Property Profile of 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
Property Insights of 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
The XLogP value of 0.1188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide. Following Lipinski's Rule of Five, 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide has 1 hydrogen bond donor(s) and 4 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 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
The CAS number of 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide is 1698-79-9.
What is the molecular formula of 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
The molecular formula of 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide is C10H9NO4S.
What is the molecular weight of 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
The molecular weight of 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide is 239.03 g/mol.
Where can I buy 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
You can request a quote for 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-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 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.