VU0509381-1
TL;DR: VU0509381-1 (CAS 727689-50-1) is a chemical compound with molecular formula C21H17N3O3S2 and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
Also Known As: VU0509381-1, VU0509381-2, F3111-1599, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}ethan-1-one, 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((5-(p-tolyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)ethanone
| Molecular Formula | C21H17N3O3S2 |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 4.51242 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.07114 |
| Heavy Atoms | 29 |
| Complexity | 1197.8359 |
Chemical Identifiers
| CAS Number | 727689-50-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
VU0509381-1 (CAS 727689-50-1), with molecular formula C21H17N3O3S2 and molecular weight 423.07 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of VU0509381-1
Property Insights of VU0509381-1
The XLogP value of 4.51242 indicates that VU0509381-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509381-1. Following Lipinski's Rule of Five, VU0509381-1 has 0 hydrogen bond donor(s) and 7 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 VU0509381-1?
The CAS number of VU0509381-1 is 727689-50-1.
What is the molecular formula of VU0509381-1?
The molecular formula of VU0509381-1 is C21H17N3O3S2.
What is the molecular weight of VU0509381-1?
The molecular weight of VU0509381-1 is 423.07 g/mol.
Where can I buy VU0509381-1?
You can request a quote for VU0509381-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509381-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509381-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.