VU0612816-1
TL;DR: VU0612816-1 (CAS 874464-29-6) is a chemical compound with molecular formula C16H11ClN4OS and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: VU0612816-1, (E)-3-(4-chlorobenzyl)-6-(2-(furan-2-yl)vinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[(4-chlorophenyl)methyl]-6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, F3375-0286, 3-(4-chlorobenzyl)-6-[(E)-2-(furan-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H11ClN4OS |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 4.1934 |
| Topological Polar Surface Area | 56.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0342 |
| Heavy Atoms | 23 |
| Complexity | 953.9786 |
Chemical Identifiers
| CAS Number | 874464-29-6 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C2=NN3C(=NN=C3S2)CC4=CC=C(C=C4)Cl |
Product Overview
VU0612816-1 (CAS 874464-29-6), with molecular formula C16H11ClN4OS and molecular weight 342.03 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of VU0612816-1
Property Insights of VU0612816-1
The XLogP value of 4.1934 indicates that VU0612816-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.22 Ų, VU0612816-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0612816-1 has 0 hydrogen bond donor(s) and 5 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 VU0612816-1?
The CAS number of VU0612816-1 is 874464-29-6.
What is the molecular formula of VU0612816-1?
The molecular formula of VU0612816-1 is C16H11ClN4OS.
What is the molecular weight of VU0612816-1?
The molecular weight of VU0612816-1 is 342.03 g/mol.
Where can I buy VU0612816-1?
You can request a quote for VU0612816-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0612816-1?
Yes, KEHONG BIO provides custom synthesis services for VU0612816-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.