VU0513339-1
TL;DR: VU0513339-1 (CAS 874463-89-5) is a chemical compound with molecular formula C19H15ClN4O2S and molecular weight 398.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: VU0513339-1, F3215-0178, 3-(2-chlorophenyl)-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, (E)-3-(2-chlorophenyl)-6-(3,4-dimethoxystyryl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2-chlorophenyl)-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C19H15ClN4O2S |
|---|---|
| Molecular Weight | 398.06 g/mol |
| LogP | 4.6938 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.06042 |
| Heavy Atoms | 27 |
| Complexity | 1135.9048 |
Chemical Identifiers
| CAS Number | 874463-89-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C2=NN3C(=NN=C3S2)C4=CC=CC=C4Cl)OC |
Product Overview
VU0513339-1 (CAS 874463-89-5), with molecular formula C19H15ClN4O2S and molecular weight 398.06 g/mol. IUPAC: 3-(2-chlorophenyl)-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of VU0513339-1
Property Insights of VU0513339-1
The XLogP value of 4.6938 indicates that VU0513339-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513339-1. Following Lipinski's Rule of Five, VU0513339-1 has 0 hydrogen bond donor(s) and 6 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 VU0513339-1?
The CAS number of VU0513339-1 is 874463-89-5.
What is the molecular formula of VU0513339-1?
The molecular formula of VU0513339-1 is C19H15ClN4O2S.
What is the molecular weight of VU0513339-1?
The molecular weight of VU0513339-1 is 398.06 g/mol.
Where can I buy VU0513339-1?
You can request a quote for VU0513339-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513339-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513339-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.