VU0508518-1
TL;DR: VU0508518-1 (CAS 786676-64-0) is a chemical compound with molecular formula C22H19BrN2O3S and molecular weight 470.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[5-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
Also Known As: VU0508518-1, F3077-1058, (Z)-ethyl 2-(5-(4-bromobenzyl)-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate, ETHYL 2-[(2Z)-5-[(4-BROMOPHENYL)METHYL]-3-(4-METHYLPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-2-CYANOACETATE, ethyl (2Z)-2-[5-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
| Molecular Formula | C22H19BrN2O3S |
|---|---|
| Molecular Weight | 470.03 g/mol |
| LogP | 4.7469 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.02997 |
| Heavy Atoms | 29 |
| Complexity | 994.2126 |
Chemical Identifiers
| CAS Number | 786676-64-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C)/C#N |
Product Overview
VU0508518-1 (CAS 786676-64-0), with molecular formula C22H19BrN2O3S and molecular weight 470.03 g/mol. IUPAC: ethyl (2Z)-2-[5-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate.
Chemical Property Profile of VU0508518-1
Property Insights of VU0508518-1
The XLogP value of 4.7469 indicates that VU0508518-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0508518-1. Following Lipinski's Rule of Five, VU0508518-1 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 VU0508518-1?
The CAS number of VU0508518-1 is 786676-64-0.
What is the molecular formula of VU0508518-1?
The molecular formula of VU0508518-1 is C22H19BrN2O3S.
What is the molecular weight of VU0508518-1?
The molecular weight of VU0508518-1 is 470.03 g/mol.
Where can I buy VU0508518-1?
You can request a quote for VU0508518-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0508518-1?
Yes, KEHONG BIO provides custom synthesis services for VU0508518-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.