(3-benzoyl-2-ethyl-1,1-dioxo-1
TL;DR: (3-benzoyl-2-ethyl-1,1-dioxo-1 (CAS 903856-46-2) is a chemical compound with molecular formula C22H23NO5S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-2-ethyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl) 2,2-dimethylpropanoate
Also Known As: (3-benzoyl-2-ethyl-1,1-dioxo-1, 2-ethyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl 2,2-dimethylpropanoate, 3-benzoyl-2-ethyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl pivalate, 3-benzoyl-2-ethyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl pivalate
| Molecular Formula | C22H23NO5S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 3.8516 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1297 |
| Heavy Atoms | 29 |
| Complexity | 1095.5226 |
Chemical Identifiers
| CAS Number | 903856-46-2 |
|---|---|
| SMILES | CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C(C)(C)C)C(=O)C3=CC=CC=C3 |
Product Overview
(3-benzoyl-2-ethyl-1,1-dioxo-1 (CAS 903856-46-2), with molecular formula C22H23NO5S and molecular weight 413.13 g/mol. IUPAC: (3-benzoyl-2-ethyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl) 2,2-dimethylpropanoate.
Chemical Property Profile of (3-benzoyl-2-ethyl-1,1-dioxo-1
Property Insights of (3-benzoyl-2-ethyl-1,1-dioxo-1
The XLogP value of 3.8516 indicates that (3-benzoyl-2-ethyl-1,1-dioxo-1 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-2-ethyl-1,1-dioxo-1. Following Lipinski's Rule of Five, (3-benzoyl-2-ethyl-1,1-dioxo-1 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-2-ethyl-1,1-dioxo-1?
The CAS number of (3-benzoyl-2-ethyl-1,1-dioxo-1 is 903856-46-2.
What is the molecular formula of (3-benzoyl-2-ethyl-1,1-dioxo-1?
The molecular formula of (3-benzoyl-2-ethyl-1,1-dioxo-1 is C22H23NO5S.
What is the molecular weight of (3-benzoyl-2-ethyl-1,1-dioxo-1?
The molecular weight of (3-benzoyl-2-ethyl-1,1-dioxo-1 is 413.13 g/mol.
Where can I buy (3-benzoyl-2-ethyl-1,1-dioxo-1?
You can request a quote for (3-benzoyl-2-ethyl-1,1-dioxo-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-2-ethyl-1,1-dioxo-1?
Yes, KEHONG BIO provides custom synthesis services for (3-benzoyl-2-ethyl-1,1-dioxo-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.