(E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one
TL;DR: (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one (CAS 5544-39-8) is a chemical compound with molecular formula C15H13NOS2 and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: CDS1_004194, BIM-0023780.P001, AB00088315-01, (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one, 3-allyl-5-(3-phenyl-2-propen-1-ylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C15H13NOS2 |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 3.63 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.04385 |
| Heavy Atoms | 19 |
| Complexity | 560.7681 |
Chemical Identifiers
| CAS Number | 5544-39-8 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/SC1=S |
Product Overview
(E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one (CAS 5544-39-8), with molecular formula C15H13NOS2 and molecular weight 287.04 g/mol. IUPAC: (5E)-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one
Property Insights of (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one
The XLogP value of 3.63 indicates that (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 3 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 (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one?
The CAS number of (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one is 5544-39-8.
What is the molecular formula of (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one?
The molecular formula of (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one is C15H13NOS2.
What is the molecular weight of (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one?
The molecular weight of (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one is 287.04 g/mol.
Where can I buy (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one?
You can request a quote for (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-allyl-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.