VU0617565-1
TL;DR: VU0617565-1 (CAS 623117-71-5) is a chemical compound with molecular formula C19H18O5S and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetate
Also Known As: VU0617565-1, (Z)-tert-butyl 2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate, F3385-5027, tert-butyl 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetate, tert-butyl 2-{[(2Z)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
| Molecular Formula | C19H18O5S |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 4.0848 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.0875 |
| Heavy Atoms | 25 |
| Complexity | 827.9945 |
Chemical Identifiers
| CAS Number | 623117-71-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CS3)/O2 |
Product Overview
VU0617565-1 (CAS 623117-71-5), with molecular formula C19H18O5S and molecular weight 358.09 g/mol. IUPAC: tert-butyl 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of VU0617565-1
Property Insights of VU0617565-1
The XLogP value of 4.0848 indicates that VU0617565-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0617565-1. Following Lipinski's Rule of Five, VU0617565-1 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 VU0617565-1?
The CAS number of VU0617565-1 is 623117-71-5.
What is the molecular formula of VU0617565-1?
The molecular formula of VU0617565-1 is C19H18O5S.
What is the molecular weight of VU0617565-1?
The molecular weight of VU0617565-1 is 358.09 g/mol.
Where can I buy VU0617565-1?
You can request a quote for VU0617565-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0617565-1?
Yes, KEHONG BIO provides custom synthesis services for VU0617565-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.