2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate
TL;DR: 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate (CAS 577770-79-7) is a chemical compound with molecular formula C20H17NO5S and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1λ6,2-benzothiazin-4-yl) acetate
Also Known As: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1, 2-allyl-3-benzoyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl acetate, 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate, 1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl acetate
| Molecular Formula | C20H17NO5S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 2.9915 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.08273 |
| Heavy Atoms | 27 |
| Complexity | 1054.7894 |
Chemical Identifiers
| CAS Number | 577770-79-7 |
|---|---|
| SMILES | CC(=O)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)CC=C)C(=O)C3=CC=CC=C3 |
Product Overview
2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate (CAS 577770-79-7), with molecular formula C20H17NO5S and molecular weight 383.08 g/mol. IUPAC: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1λ6,2-benzothiazin-4-yl) acetate.
Chemical Property Profile of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate
Property Insights of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate
The XLogP value of 2.9915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate. Following Lipinski's Rule of Five, 2-allyl-3-benzoyl-1,1-dioxido-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 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate?
The CAS number of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate is 577770-79-7.
What is the molecular formula of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate?
The molecular formula of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate is C20H17NO5S.
What is the molecular weight of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate?
The molecular weight of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate is 383.08 g/mol.
Where can I buy 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate?
You can request a quote for 2-allyl-3-benzoyl-1,1-dioxido-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 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.