VU0617169-1
TL;DR: VU0617169-1 (CAS 859673-05-5) is a chemical compound with molecular formula C21H20O8 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]propanoic acid
Also Known As: VU0617169-1, (Z)-2-((3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl)oxy)propanoic acid, F3385-2894, 2-[[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]propanoic acid, 2-{[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoic acid
| Molecular Formula | C21H20O8 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.1805 |
| Topological Polar Surface Area | 100.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1158 |
| Heavy Atoms | 29 |
| Complexity | 967.1659 |
Chemical Identifiers
| CAS Number | 859673-05-5 |
|---|---|
| SMILES | CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/O2 |
Product Overview
VU0617169-1 (CAS 859673-05-5), with molecular formula C21H20O8 and molecular weight 400.12 g/mol. IUPAC: 2-[[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]propanoic acid.
Chemical Property Profile of VU0617169-1
Property Insights of VU0617169-1
The XLogP value of 3.1805 indicates that VU0617169-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.52 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0617169-1. Following Lipinski's Rule of Five, VU0617169-1 has 1 hydrogen bond donor(s) and 7 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 VU0617169-1?
The CAS number of VU0617169-1 is 859673-05-5.
What is the molecular formula of VU0617169-1?
The molecular formula of VU0617169-1 is C21H20O8.
What is the molecular weight of VU0617169-1?
The molecular weight of VU0617169-1 is 400.12 g/mol.
Where can I buy VU0617169-1?
You can request a quote for VU0617169-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0617169-1?
Yes, KEHONG BIO provides custom synthesis services for VU0617169-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.