VU0617072-1
TL;DR: VU0617072-1 (CAS 896836-09-2) is a chemical compound with molecular formula C25H22O9S and molecular weight 498.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-methoxybenzenesulfonate
Also Known As: VU0617072-1, AB01315554-02, AO-022/43453340, (2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzenesulfonate, F3385-2477
| Molecular Formula | C25H22O9S |
|---|---|
| Molecular Weight | 498.10 g/mol |
| LogP | 4.1049 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.09845 |
| Heavy Atoms | 35 |
| Complexity | 1407.5952 |
Chemical Identifiers
| CAS Number | 896836-09-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C(=C(C=C4)OC)OC)OC)/O3 |
Product Overview
VU0617072-1 (CAS 896836-09-2), with molecular formula C25H22O9S and molecular weight 498.10 g/mol. IUPAC: [(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-methoxybenzenesulfonate.
Chemical Property Profile of VU0617072-1
Property Insights of VU0617072-1
The XLogP value of 4.1049 indicates that VU0617072-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0617072-1. Following Lipinski's Rule of Five, VU0617072-1 has 0 hydrogen bond donor(s) and 9 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 VU0617072-1?
The CAS number of VU0617072-1 is 896836-09-2.
What is the molecular formula of VU0617072-1?
The molecular formula of VU0617072-1 is C25H22O9S.
What is the molecular weight of VU0617072-1?
The molecular weight of VU0617072-1 is 498.10 g/mol.
Where can I buy VU0617072-1?
You can request a quote for VU0617072-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0617072-1?
Yes, KEHONG BIO provides custom synthesis services for VU0617072-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.