3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate
TL;DR: 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate (CAS 573694-89-0) is a chemical compound with molecular formula C24H19NO6S and molecular weight 449.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl) 2-phenoxyacetate
Also Known As: (3-benzoyl-2-methyl-1,1-dioxo-1, 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate, 2-methyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl phenoxyacetate, 3-benzoyl-2-methyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl 2-phenoxyacetate
| Molecular Formula | C24H19NO6S |
|---|---|
| Molecular Weight | 449.09 g/mol |
| LogP | 3.4944 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.09332 |
| Heavy Atoms | 32 |
| Complexity | 1300.5857 |
Chemical Identifiers
| CAS Number | 573694-89-0 |
|---|---|
| SMILES | CN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)COC3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
Product Overview
3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate (CAS 573694-89-0), with molecular formula C24H19NO6S and molecular weight 449.09 g/mol. IUPAC: (3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl) 2-phenoxyacetate.
Chemical Property Profile of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate
Property Insights of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate
The XLogP value of 3.4944 indicates that 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate. Following Lipinski's Rule of Five, 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate has 0 hydrogen bond donor(s) and 6 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-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate?
The CAS number of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate is 573694-89-0.
What is the molecular formula of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate?
The molecular formula of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate is C24H19NO6S.
What is the molecular weight of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate?
The molecular weight of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate is 449.09 g/mol.
Where can I buy 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate?
You can request a quote for 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.