VU0616989-1
TL;DR: VU0616989-1 (CAS 859666-96-9) is a chemical compound with molecular formula C18H14O6 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
Also Known As: VU0616989-1, (Z)-2-((2-(4-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetic acid, F3385-2079, 2-{[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid, 2-[[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
| Molecular Formula | C18H14O6 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.7748 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.07904 |
| Heavy Atoms | 24 |
| Complexity | 819.90265 |
Chemical Identifiers
| CAS Number | 859666-96-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)O |
Product Overview
VU0616989-1 (CAS 859666-96-9), with molecular formula C18H14O6 and molecular weight 326.08 g/mol. IUPAC: 2-[[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid.
Chemical Property Profile of VU0616989-1
Property Insights of VU0616989-1
The XLogP value of 2.7748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0616989-1. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0616989-1. Following Lipinski's Rule of Five, VU0616989-1 has 1 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 VU0616989-1?
The CAS number of VU0616989-1 is 859666-96-9.
What is the molecular formula of VU0616989-1?
The molecular formula of VU0616989-1 is C18H14O6.
What is the molecular weight of VU0616989-1?
The molecular weight of VU0616989-1 is 326.08 g/mol.
Where can I buy VU0616989-1?
You can request a quote for VU0616989-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0616989-1?
Yes, KEHONG BIO provides custom synthesis services for VU0616989-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.