VU0489656-1
TL;DR: VU0489656-1 (CAS 853903-80-7) is a chemical compound with molecular formula C19H15NO6S2 and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid
Also Known As: VU0489656-1, 4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid, F1950-0059, (Z)-4-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid, 4-{5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-2- hydroxybenzoic acid
| Molecular Formula | C19H15NO6S2 |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 3.5134 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0341 |
| Heavy Atoms | 28 |
| Complexity | 1017.4786 |
Chemical Identifiers
| CAS Number | 853903-80-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=C(C=C3)C(=O)O)O)OC |
Product Overview
VU0489656-1 (CAS 853903-80-7), with molecular formula C19H15NO6S2 and molecular weight 417.03 g/mol. IUPAC: 4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid.
Chemical Property Profile of VU0489656-1
Property Insights of VU0489656-1
The XLogP value of 3.5134 indicates that VU0489656-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489656-1. Following Lipinski's Rule of Five, VU0489656-1 has 2 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 VU0489656-1?
The CAS number of VU0489656-1 is 853903-80-7.
What is the molecular formula of VU0489656-1?
The molecular formula of VU0489656-1 is C19H15NO6S2.
What is the molecular weight of VU0489656-1?
The molecular weight of VU0489656-1 is 417.03 g/mol.
Where can I buy VU0489656-1?
You can request a quote for VU0489656-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489656-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489656-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.