(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1
TL;DR: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 (CAS 840483-48-9) is a chemical compound with molecular formula C30H28N2O6S and molecular weight 544.17 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-(morpholin-4-ylmethyl)benzoate
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 4-(morpholinomethyl)benzoate, 1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl 4-(morpholin-4-ylmethyl)benzoate, 2-ALLYL-3-BENZOYL-1,1-DIOXIDO-2H-1,2-BENZOTHIAZIN-4-YL 4-(4-MORPHOLINYLMETHYL)BENZOATE
| Molecular Formula | C30H28N2O6S |
|---|---|
| Molecular Weight | 544.17 g/mol |
| LogP | 4.1176 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.1668 |
| Heavy Atoms | 39 |
| Complexity | 1525.132 |
Chemical Identifiers
| CAS Number | 840483-48-9 |
|---|---|
| SMILES | C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)CN4CCOCC4)C(=O)C5=CC=CC=C5 |
Product Overview
(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 (CAS 840483-48-9), with molecular formula C30H28N2O6S and molecular weight 544.17 g/mol. IUPAC: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1λ6,2-benzothiazin-4-yl) 4-(morpholin-4-ylmethyl)benzoate.
Chemical Property Profile of (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1
Property Insights of (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1
The XLogP value of 4.1176 indicates that (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1. Following Lipinski's Rule of Five, (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
The CAS number of (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 is 840483-48-9.
What is the molecular formula of (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
The molecular formula of (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 is C30H28N2O6S.
What is the molecular weight of (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
The molecular weight of (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 is 544.17 g/mol.
Where can I buy (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
You can request a quote for (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 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-dioxo-2-prop-2-enyl-1?
Yes, KEHONG BIO provides custom synthesis services for (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.