2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate
TL;DR: 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate (CAS 577959-93-4) is a chemical compound with molecular formula C27H23NO6S and molecular weight 489.12 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) 2-(4-methylphenoxy)acetate
Also Known As: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1, 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate, 2-allyl-3-benzoyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl 2-(p-tolyloxy)acetate, 1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate
| Molecular Formula | C27H23NO6S |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 4.35902 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.1246 |
| Heavy Atoms | 35 |
| Complexity | 1409.5403 |
Chemical Identifiers
| CAS Number | 577959-93-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC=C)C(=O)C4=CC=CC=C4 |
Product Overview
2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate (CAS 577959-93-4), with molecular formula C27H23NO6S and molecular weight 489.12 g/mol. IUPAC: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1λ6,2-benzothiazin-4-yl) 2-(4-methylphenoxy)acetate.
Chemical Property Profile of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Property Insights of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate
The XLogP value of 4.35902 indicates that 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate 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 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate. Following Lipinski's Rule of Five, 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate 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 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate?
The CAS number of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate is 577959-93-4.
What is the molecular formula of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate?
The molecular formula of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate is C27H23NO6S.
What is the molecular weight of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate?
The molecular weight of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate is 489.12 g/mol.
Where can I buy 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate?
You can request a quote for 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)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 (4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.