3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate
TL;DR: 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate (CAS 840485-53-2) is a chemical compound with molecular formula C23H16BrNO5S and molecular weight 496.99 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) 4-bromobenzoate
Also Known As: (3-benzoyl-2-methyl-1,1-dioxo-1, 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate, 2-methyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl 4-bromobenzoate, 3-benzoyl-2-methyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl 4-bromobenzoate
| Molecular Formula | C23H16BrNO5S |
|---|---|
| Molecular Weight | 496.99 g/mol |
| LogP | 4.4917 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.99326 |
| Heavy Atoms | 31 |
| Complexity | 1315.5875 |
Chemical Identifiers
| CAS Number | 840485-53-2 |
|---|---|
| SMILES | CN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4 |
Product Overview
3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate (CAS 840485-53-2), with molecular formula C23H16BrNO5S and molecular weight 496.99 g/mol. IUPAC: (3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl) 4-bromobenzoate.
Chemical Property Profile of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate
Property Insights of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate
The XLogP value of 4.4917 indicates that 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 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 4-bromobenzoate. Following Lipinski's Rule of Five, 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate has 0 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 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate?
The CAS number of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate is 840485-53-2.
What is the molecular formula of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate?
The molecular formula of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate is C23H16BrNO5S.
What is the molecular weight of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate?
The molecular weight of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate is 496.99 g/mol.
Where can I buy 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate?
You can request a quote for 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate 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 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.