2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate
TL;DR: 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate (CAS 578733-72-9) is a chemical compound with molecular formula C26H21NO6S and molecular weight 475.11 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) 4-methoxybenzoate
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-methoxybenzoate, (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) 4-methoxybenzoate, 2-allyl-3-benzoyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl 4-methoxybenzoate, 1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate
| Molecular Formula | C26H21NO6S |
|---|---|
| Molecular Weight | 475.11 g/mol |
| LogP | 4.294 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.10895 |
| Heavy Atoms | 34 |
| Complexity | 1392.7181 |
Chemical Identifiers
| CAS Number | 578733-72-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=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-methoxybenzoate (CAS 578733-72-9), with molecular formula C26H21NO6S and molecular weight 475.11 g/mol. IUPAC: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1λ6,2-benzothiazin-4-yl) 4-methoxybenzoate.
Chemical Property Profile of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate
Property Insights of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate
The XLogP value of 4.294 indicates that 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate 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-methoxybenzoate. Following Lipinski's Rule of Five, 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate 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-methoxybenzoate?
The CAS number of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate is 578733-72-9.
What is the molecular formula of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate?
The molecular formula of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate is C26H21NO6S.
What is the molecular weight of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate?
The molecular weight of 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate is 475.11 g/mol.
Where can I buy 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate?
You can request a quote for 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate 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-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.