3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate
TL;DR: 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate (CAS 694485-00-2) is a chemical compound with molecular formula C24H19NO5S and molecular weight 433.10 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-methylbenzoate
Also Known As: (3-benzoyl-2-methyl-1,1-dioxo-1, 3-benzoyl-2-methyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl 4-methylbenzoate, 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate, 2-methyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl 4-methylbenzoate
| Molecular Formula | C24H19NO5S |
|---|---|
| Molecular Weight | 433.10 g/mol |
| LogP | 4.03762 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0984 |
| Heavy Atoms | 31 |
| Complexity | 1309.5903 |
Chemical Identifiers
| CAS Number | 694485-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)C)C(=O)C4=CC=CC=C4 |
Product Overview
3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate (CAS 694485-00-2), with molecular formula C24H19NO5S and molecular weight 433.10 g/mol. IUPAC: (3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl) 4-methylbenzoate.
Chemical Property Profile of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate
Property Insights of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate
The XLogP value of 4.03762 indicates that 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate 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-methylbenzoate. Following Lipinski's Rule of Five, 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate 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-methylbenzoate?
The CAS number of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate is 694485-00-2.
What is the molecular formula of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate?
The molecular formula of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate is C24H19NO5S.
What is the molecular weight of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate?
The molecular weight of 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate is 433.10 g/mol.
Where can I buy 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate?
You can request a quote for 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzoyl-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.