3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate
TL;DR: 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate (CAS 905014-73-5) is a chemical compound with molecular formula C20H19NO5S and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-1,1-dioxo-2-propyl-1λ6,2-benzothiazin-4-yl) acetate
Also Known As: (3-benzoyl-1,1-dioxo-2-propyl-1, 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate, 1,1-dioxido-3-(phenylcarbonyl)-2-propyl-2H-1,2-benzothiazin-4-yl acetate, 3-benzoyl-1,1-dioxido-2-propyl-2H-benzo[e][1,2]thiazin-4-yl acetate
| Molecular Formula | C20H19NO5S |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 3.2155 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.0984 |
| Heavy Atoms | 27 |
| Complexity | 1025.3474 |
Chemical Identifiers
| CAS Number | 905014-73-5 |
|---|---|
| SMILES | CCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C)C(=O)C3=CC=CC=C3 |
Product Overview
3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate (CAS 905014-73-5), with molecular formula C20H19NO5S and molecular weight 385.10 g/mol. IUPAC: (3-benzoyl-1,1-dioxo-2-propyl-1λ6,2-benzothiazin-4-yl) acetate.
Chemical Property Profile of 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate
Property Insights of 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate
The XLogP value of 3.2155 indicates that 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate 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-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate. Following Lipinski's Rule of Five, 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate 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-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate?
The CAS number of 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate is 905014-73-5.
What is the molecular formula of 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate?
The molecular formula of 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate is C20H19NO5S.
What is the molecular weight of 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate?
The molecular weight of 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate is 385.10 g/mol.
Where can I buy 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate?
You can request a quote for 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzoyl-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.