N-(3-benzoyl-2-benzyl-1,1-dioxo-1
TL;DR: N-(3-benzoyl-2-benzyl-1,1-dioxo-1 (CAS 578718-67-9) is a chemical compound with molecular formula C31H26N2O5S and molecular weight 538.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-benzoyl-2-benzyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-(4-methylphenoxy)acetamide
Also Known As: N-(3-benzoyl-2-benzyl-1,1-dioxo-1, N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-2-(4-methylphenoxy)acetamide, N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl)-2-(p-tolyloxy)acetamide, N-[2-benzyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]-2-(4-methylphenoxy)acetamide
| Molecular Formula | C31H26N2O5S |
|---|---|
| Molecular Weight | 538.16 g/mol |
| LogP | 4.94622 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.15625 |
| Heavy Atoms | 39 |
| Complexity | 1648.4956 |
Chemical Identifiers
| CAS Number | 578718-67-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)NC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5 |
Product Overview
N-(3-benzoyl-2-benzyl-1,1-dioxo-1 (CAS 578718-67-9), with molecular formula C31H26N2O5S and molecular weight 538.16 g/mol. IUPAC: N-(3-benzoyl-2-benzyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-(4-methylphenoxy)acetamide.
Chemical Property Profile of N-(3-benzoyl-2-benzyl-1,1-dioxo-1
Property Insights of N-(3-benzoyl-2-benzyl-1,1-dioxo-1
The XLogP value of 4.94622 indicates that N-(3-benzoyl-2-benzyl-1,1-dioxo-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-benzoyl-2-benzyl-1,1-dioxo-1. Following Lipinski's Rule of Five, N-(3-benzoyl-2-benzyl-1,1-dioxo-1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-benzoyl-2-benzyl-1,1-dioxo-1?
The CAS number of N-(3-benzoyl-2-benzyl-1,1-dioxo-1 is 578718-67-9.
What is the molecular formula of N-(3-benzoyl-2-benzyl-1,1-dioxo-1?
The molecular formula of N-(3-benzoyl-2-benzyl-1,1-dioxo-1 is C31H26N2O5S.
What is the molecular weight of N-(3-benzoyl-2-benzyl-1,1-dioxo-1?
The molecular weight of N-(3-benzoyl-2-benzyl-1,1-dioxo-1 is 538.16 g/mol.
Where can I buy N-(3-benzoyl-2-benzyl-1,1-dioxo-1?
You can request a quote for N-(3-benzoyl-2-benzyl-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 N-(3-benzoyl-2-benzyl-1,1-dioxo-1?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzoyl-2-benzyl-1,1-dioxo-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.