3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
TL;DR: 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide (CAS 106474-25-3) is a chemical compound with molecular formula C15H11NO4S and molecular weight 301.0409 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzoyl-1,1-dioxo-2,3-dihydro-1λ6,2-benzothiazin-4-one
Also Known As: 3-benzoyl-1,1-dioxo-2,3-dihydro-1, 3-benzoyl-3,4-dihydro-2H-1lambda6,2-benzothiazine-1,1,4-trione, 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
Technical Specifications
| Molecular Formula | C15H11NO4S |
| Molecular Weight | 301.0409 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.0409 Da |
| Heavy Atoms | 21 |
| Complexity | 530.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2C(=O)C3=CC=CC=C3S(=O)(=O)N2 |
| InChIKey | OYPKGKZBHGUSOM-UHFFFAOYSA-N |
Chemical Property Profile of 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
Property Insights of 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide. Following Lipinski's Rule of Five, 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
The CAS number of 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide is 106474-25-3.
What is the molecular formula of 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
The molecular formula of 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide is C15H11NO4S.
What is the molecular weight of 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
The molecular weight of 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide is 301.0409 g/mol.
Where can I buy 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
You can request a quote for 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-benzoyl-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 3-benzoyl-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.