N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide
TL;DR: N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide (CAS 714231-97-7) is a chemical compound with molecular formula C29H21N3O6S and molecular weight 539.12 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)-4-nitrobenzamide
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)-4-nitrobenzamide, N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-benzo[e][1,2]thiazin-4-yl)-4-nitrobenzamide, N-[2-benzyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]-4-nitrobenzamide
| Molecular Formula | C29H21N3O6S |
|---|---|
| Molecular Weight | 539.12 g/mol |
| LogP | 4.7808 |
| Topological Polar Surface Area | 126.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1151 |
| Heavy Atoms | 39 |
| Complexity | 1718.0803 |
Chemical Identifiers
| CAS Number | 714231-97-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C3S2(=O)=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5 |
Product Overview
N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide (CAS 714231-97-7), with molecular formula C29H21N3O6S and molecular weight 539.12 g/mol. IUPAC: N-(3-benzoyl-2-benzyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide
Property Insights of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide
The XLogP value of 4.7808 indicates that N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.69 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 6 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-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide?
The CAS number of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide is 714231-97-7.
What is the molecular formula of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide?
The molecular formula of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide is C29H21N3O6S.
What is the molecular weight of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide?
The molecular weight of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide is 539.12 g/mol.
Where can I buy N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide?
You can request a quote for N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide 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-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.