4-[[2-(2-methylphenyl)-1,1,3-trioxo-1
TL;DR: 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 (CAS 933213-89-9) is a chemical compound with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]methyl]benzonitrile
Also Known As: 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1, F3167-0944, 4-{[2-(2-methylphenyl)-1,1,3-trioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-4-yl]methyl}benzonitrile, 4-((1,1-dioxido-3-oxo-2-(o-tolyl)-2H-benzo[e][1,2,4]thiadiazin-4(3H)-yl)methyl)benzonitrile, 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1lambda6,2,4-benzothiadiazin-4-yl]methyl]benzonitrile
| Molecular Formula | C22H17N3O3S |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 4.2022 |
| Topological Polar Surface Area | 81.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.09906 |
| Heavy Atoms | 29 |
| Complexity | 1244.7942 |
Chemical Identifiers
| CAS Number | 933213-89-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC=C(C=C4)C#N |
Product Overview
4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 (CAS 933213-89-9), with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol. IUPAC: 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]methyl]benzonitrile.
Chemical Property Profile of 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1
Property Insights of 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1
The XLogP value of 4.2022 indicates that 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1. Following Lipinski's Rule of Five, 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 has 0 hydrogen bond donor(s) and 4 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 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1?
The CAS number of 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 is 933213-89-9.
What is the molecular formula of 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1?
The molecular formula of 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 is C22H17N3O3S.
What is the molecular weight of 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1?
The molecular weight of 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 is 403.10 g/mol.
Where can I buy 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1?
You can request a quote for 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(2-methylphenyl)-1,1,3-trioxo-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.