VU0513337-1
TL;DR: VU0513337-1 (CAS 874463-84-0) is a chemical compound with molecular formula C19H18N4OS2 and molecular weight 382.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: VU0513337-1, 3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, F3215-0173, 3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(1-thia-4,5,6,7-tetrahydro-3-indenyl)-8-[(m-tolyloxy)methyl]-4-thia-1,2,6,7-tetraazabicyclo[3.3.0]octa-2,5,7-triene
| Molecular Formula | C19H18N4OS2 |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | 4.68052 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.0922 |
| Heavy Atoms | 26 |
| Complexity | 1078.5388 |
Chemical Identifiers
| CAS Number | 874463-84-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NN=C3N2N=C(S3)C4=CSC5=C4CCCC5 |
Product Overview
VU0513337-1 (CAS 874463-84-0), with molecular formula C19H18N4OS2 and molecular weight 382.09 g/mol. IUPAC: 3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of VU0513337-1
Property Insights of VU0513337-1
The XLogP value of 4.68052 indicates that VU0513337-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, VU0513337-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0513337-1 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 VU0513337-1?
The CAS number of VU0513337-1 is 874463-84-0.
What is the molecular formula of VU0513337-1?
The molecular formula of VU0513337-1 is C19H18N4OS2.
What is the molecular weight of VU0513337-1?
The molecular weight of VU0513337-1 is 382.09 g/mol.
Where can I buy VU0513337-1?
You can request a quote for VU0513337-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513337-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513337-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.