VU0616731-1
TL;DR: VU0616731-1 (CAS 620546-46-5) is a chemical compound with molecular formula C21H18O5 and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxy]propanoate
Also Known As: VU0616731-1, methyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)propanoate, F3385-0777, methyl 2-{[(2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate, methyl 2-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxy]propanoate
| Molecular Formula | C21H18O5 |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.7993 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.11542 |
| Heavy Atoms | 26 |
| Complexity | 880.52936 |
Chemical Identifiers
| CAS Number | 620546-46-5 |
|---|---|
| SMILES | CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)/C(=C/C=C/C3=CC=CC=C3)/O2 |
Product Overview
VU0616731-1 (CAS 620546-46-5), with molecular formula C21H18O5 and molecular weight 350.12 g/mol. IUPAC: methyl 2-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxy]propanoate.
Chemical Property Profile of VU0616731-1
Property Insights of VU0616731-1
The XLogP value of 3.7993 indicates that VU0616731-1 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 VU0616731-1. Following Lipinski's Rule of Five, VU0616731-1 has 0 hydrogen bond donor(s) and 5 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 VU0616731-1?
The CAS number of VU0616731-1 is 620546-46-5.
What is the molecular formula of VU0616731-1?
The molecular formula of VU0616731-1 is C21H18O5.
What is the molecular weight of VU0616731-1?
The molecular weight of VU0616731-1 is 350.12 g/mol.
Where can I buy VU0616731-1?
You can request a quote for VU0616731-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0616731-1?
Yes, KEHONG BIO provides custom synthesis services for VU0616731-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.