VU0489655-1
TL;DR: VU0489655-1 (CAS 853903-74-9) is a chemical compound with molecular formula C18H13NO6S2 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: VU0489655-1, 2-hydroxy-5-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, (Z)-2-hydroxy-5-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, F1950-0032, 2-hydroxy-5-{5-[(4-hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiaz olidin-3-yl)}benzoic acid
| Molecular Formula | C18H13NO6S2 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 3.2104 |
| Topological Polar Surface Area | 107.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.01843 |
| Heavy Atoms | 27 |
| Complexity | 1001.34155 |
Chemical Identifiers
| CAS Number | 853903-74-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=C(C=C3)O)C(=O)O)O |
Product Overview
VU0489655-1 (CAS 853903-74-9), with molecular formula C18H13NO6S2 and molecular weight 403.02 g/mol. IUPAC: 2-hydroxy-5-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of VU0489655-1
Property Insights of VU0489655-1
The XLogP value of 3.2104 indicates that VU0489655-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.3 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489655-1. Following Lipinski's Rule of Five, VU0489655-1 has 3 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 VU0489655-1?
The CAS number of VU0489655-1 is 853903-74-9.
What is the molecular formula of VU0489655-1?
The molecular formula of VU0489655-1 is C18H13NO6S2.
What is the molecular weight of VU0489655-1?
The molecular weight of VU0489655-1 is 403.02 g/mol.
Where can I buy VU0489655-1?
You can request a quote for VU0489655-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489655-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489655-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.