VU0509173-1
TL;DR: VU0509173-1 (CAS 685556-89-2) is a chemical compound with molecular formula C16H20BrN3O3S and molecular weight 413.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2-tert-butylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: VU0509173-1, 2-(4-bromo-2-tert-butylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide, AP-906/42086032, F3098-6397, 2-(4-bromo-2-(tert-butyl)phenoxy)-N-(5-(methoxymethyl)-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C16H20BrN3O3S |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | 3.762 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.0409 |
| Heavy Atoms | 24 |
| Complexity | 712.83344 |
Chemical Identifiers
| CAS Number | 685556-89-2 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=NN=C(S2)COC |
Product Overview
VU0509173-1 (CAS 685556-89-2), with molecular formula C16H20BrN3O3S and molecular weight 413.04 g/mol. IUPAC: 2-(4-bromo-2-tert-butylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of VU0509173-1
Property Insights of VU0509173-1
The XLogP value of 3.762 indicates that VU0509173-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509173-1. Following Lipinski's Rule of Five, VU0509173-1 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 VU0509173-1?
The CAS number of VU0509173-1 is 685556-89-2.
What is the molecular formula of VU0509173-1?
The molecular formula of VU0509173-1 is C16H20BrN3O3S.
What is the molecular weight of VU0509173-1?
The molecular weight of VU0509173-1 is 413.04 g/mol.
Where can I buy VU0509173-1?
You can request a quote for VU0509173-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509173-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509173-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.