VU0508478-1
TL;DR: VU0508478-1 (CAS 799825-30-2) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2Z)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
Also Known As: VU0508478-1, F3077-0151, ethyl 4-{[(2Z)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-yl]methyl}benzoate, (Z)-ethyl 4-((2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-yl)methyl)benzoate, ethyl 4-[[(2Z)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 1.96158 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 746.8492 |
Chemical Identifiers
| CAS Number | 799825-30-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N/C(=C(\C#N)/C(=O)C)/S2 |
Product Overview
VU0508478-1 (CAS 799825-30-2), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: ethyl 4-[[(2Z)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate.
Chemical Property Profile of VU0508478-1
Property Insights of VU0508478-1
The XLogP value of 1.96158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0508478-1. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0508478-1. Following Lipinski's Rule of Five, VU0508478-1 has 1 hydrogen bond donor(s) and 6 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 VU0508478-1?
The CAS number of VU0508478-1 is 799825-30-2.
What is the molecular formula of VU0508478-1?
The molecular formula of VU0508478-1 is C17H16N2O4S.
What is the molecular weight of VU0508478-1?
The molecular weight of VU0508478-1 is 344.08 g/mol.
Where can I buy VU0508478-1?
You can request a quote for VU0508478-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0508478-1?
Yes, KEHONG BIO provides custom synthesis services for VU0508478-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.