VU0511556-1
TL;DR: VU0511556-1 (CAS 896685-25-9) is a chemical compound with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(2,5-dimethylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]methyl]benzonitrile
Also Known As: VU0511556-1, 4-[[2-(2,5-dimethylphenyl)-1,1,3-trioxo-1, F3165-1696, 4-{[2-(2,5-dimethylphenyl)-1,1,3-trioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-4-yl]methyl}benzonitrile, 4-((2-(2,5-dimethylphenyl)-1,1-dioxido-3-oxo-2H-benzo[e][1,2,4]thiadiazin-4(3H)-yl)methyl)benzonitrile
| Molecular Formula | C23H19N3O3S |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 4.51062 |
| Topological Polar Surface Area | 81.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.11472 |
| Heavy Atoms | 30 |
| Complexity | 1292.0138 |
Chemical Identifiers
| CAS Number | 896685-25-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC=C(C=C4)C#N |
Product Overview
VU0511556-1 (CAS 896685-25-9), with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol. IUPAC: 4-[[2-(2,5-dimethylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]methyl]benzonitrile.
Chemical Property Profile of VU0511556-1
Property Insights of VU0511556-1
The XLogP value of 4.51062 indicates that VU0511556-1 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 VU0511556-1. Following Lipinski's Rule of Five, VU0511556-1 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 VU0511556-1?
The CAS number of VU0511556-1 is 896685-25-9.
What is the molecular formula of VU0511556-1?
The molecular formula of VU0511556-1 is C23H19N3O3S.
What is the molecular weight of VU0511556-1?
The molecular weight of VU0511556-1 is 417.11 g/mol.
Where can I buy VU0511556-1?
You can request a quote for VU0511556-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0511556-1?
Yes, KEHONG BIO provides custom synthesis services for VU0511556-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.