(E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate
TL;DR: (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate (CAS 315244-50-9) is a chemical compound with molecular formula C17H21NO3S3 and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoate
Also Known As: (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate, F0858-0027, pentyl 4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanoate, pentyl 4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoate, Pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate
| Molecular Formula | C17H21NO3S3 |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 4.4629 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 383.06836 |
| Heavy Atoms | 24 |
| Complexity | 610.60675 |
Chemical Identifiers
| CAS Number | 315244-50-9 |
|---|---|
| SMILES | CCCCCOC(=O)CCCN1C(=O)/C(=C\C2=CC=CS2)/SC1=S |
Product Overview
(E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate (CAS 315244-50-9), with molecular formula C17H21NO3S3 and molecular weight 383.07 g/mol. IUPAC: pentyl 4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate
Property Insights of (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate
The XLogP value of 4.4629 indicates that (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-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, (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate has 0 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 (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate?
The CAS number of (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate is 315244-50-9.
What is the molecular formula of (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate?
The molecular formula of (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate is C17H21NO3S3.
What is the molecular weight of (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate?
The molecular weight of (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate is 383.07 g/mol.
Where can I buy (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate?
You can request a quote for (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-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 (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-pentyl 4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.