(Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate
TL;DR: (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate (CAS 37008-02-9) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: BAS 00502788, BIM-0024700.P001, (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate, AB00089073-01, F0385-0339
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.2311 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 598.6683 |
Chemical Identifiers
| CAS Number | 37008-02-9 |
|---|---|
| SMILES | CCOC(=O)CCCN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=S |
Product Overview
(Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate (CAS 37008-02-9), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: ethyl 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate
Property Insights of (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate
The XLogP value of 3.2311 indicates that (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate 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 (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The CAS number of (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate is 37008-02-9.
What is the molecular formula of (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The molecular formula of (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate is C16H17NO3S2.
What is the molecular weight of (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The molecular weight of (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate is 335.06 g/mol.
Where can I buy (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
You can request a quote for (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.