VU0488580-1
TL;DR: VU0488580-1 (CAS 851809-69-3) is a chemical compound with molecular formula C18H22BrN5OS and molecular weight 435.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: VU0488580-1, F0631-0104, 5-((4-bromophenyl)(4-ethylpiperazin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-bromophenyl)(4-ethylpiperazin-1-yl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C18H22BrN5OS |
|---|---|
| Molecular Weight | 435.07 g/mol |
| LogP | 3.29422 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.07285 |
| Heavy Atoms | 26 |
| Complexity | 898.3373 |
Chemical Identifiers
| CAS Number | 851809-69-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C(C2=CC=C(C=C2)Br)C3=C(N4C(=NC(=N4)C)S3)O |
Product Overview
VU0488580-1 (CAS 851809-69-3), with molecular formula C18H22BrN5OS and molecular weight 435.07 g/mol. IUPAC: 5-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of VU0488580-1
Property Insights of VU0488580-1
The XLogP value of 3.29422 indicates that VU0488580-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, VU0488580-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0488580-1 has 1 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 VU0488580-1?
The CAS number of VU0488580-1 is 851809-69-3.
What is the molecular formula of VU0488580-1?
The molecular formula of VU0488580-1 is C18H22BrN5OS.
What is the molecular weight of VU0488580-1?
The molecular weight of VU0488580-1 is 435.07 g/mol.
Where can I buy VU0488580-1?
You can request a quote for VU0488580-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0488580-1?
Yes, KEHONG BIO provides custom synthesis services for VU0488580-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.