VU0513336-1
TL;DR: VU0513336-1 (CAS 874463-83-9) is a chemical compound with molecular formula C16H13N5OS and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylphenoxy)methyl]-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: VU0513336-1, F3215-0172, 3-[(3-methylphenoxy)methyl]-6-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[(3-methylphenoxy)methyl]-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(pyridin-3-yl)-3-((m-tolyloxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H13N5OS |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 3.13522 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.08408 |
| Heavy Atoms | 23 |
| Complexity | 947.43634 |
Chemical Identifiers
| CAS Number | 874463-83-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NN=C3N2N=C(S3)C4=CN=CC=C4 |
Product Overview
VU0513336-1 (CAS 874463-83-9), with molecular formula C16H13N5OS and molecular weight 323.08 g/mol. IUPAC: 3-[(3-methylphenoxy)methyl]-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of VU0513336-1
Property Insights of VU0513336-1
The XLogP value of 3.13522 indicates that VU0513336-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513336-1. Following Lipinski's Rule of Five, VU0513336-1 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 VU0513336-1?
The CAS number of VU0513336-1 is 874463-83-9.
What is the molecular formula of VU0513336-1?
The molecular formula of VU0513336-1 is C16H13N5OS.
What is the molecular weight of VU0513336-1?
The molecular weight of VU0513336-1 is 323.08 g/mol.
Where can I buy VU0513336-1?
You can request a quote for VU0513336-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513336-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513336-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.