2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone
TL;DR: 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone (CAS 342384-84-3) is a chemical compound with molecular formula C25H21NO5S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[hydroxy(phenyl)methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one
Also Known As: 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone, 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-benzo[e][1,2]thiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone
| Molecular Formula | C25H21NO5S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 4.30014 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.11404 |
| Heavy Atoms | 32 |
| Complexity | 1374.451 |
Chemical Identifiers
| CAS Number | 342384-84-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)CN2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C4=CC=CC=C4S2(=O)=O)C |
Product Overview
2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone (CAS 342384-84-3), with molecular formula C25H21NO5S and molecular weight 447.11 g/mol. IUPAC: (3Z)-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[hydroxy(phenyl)methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one.
Chemical Property Profile of 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone
Property Insights of 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone
The XLogP value of 4.30014 indicates that 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone. Following Lipinski's Rule of Five, 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone 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
Frequently Asked Questions
What is the CAS number of 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone?
The CAS number of 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone is 342384-84-3.
What is the molecular formula of 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone?
The molecular formula of 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone is C25H21NO5S.
What is the molecular weight of 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone?
The molecular weight of 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone is 447.11 g/mol.
Where can I buy 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone?
You can request a quote for 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)-1-(2,4-dimethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.