(Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid
TL;DR: (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid (CAS 881546-91-4) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid
Also Known As: (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid, F3003-0590, 2-[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid, 2-(5-((1H-Pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid, 2-[4-oxo-5-(pyrrol-2-ylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 2.4692 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 566.1812 |
Chemical Identifiers
| CAS Number | 881546-91-4 |
|---|---|
| SMILES | CCCC(C(=O)O)N1C(=O)/C(=C/C2=CC=CN2)/SC1=S |
Product Overview
(Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid (CAS 881546-91-4), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid.
Chemical Property Profile of (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid
Property Insights of (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid
The XLogP value of 2.4692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid. Following Lipinski's Rule of Five, (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid has 2 hydrogen bond donor(s) and 4 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)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
The CAS number of (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is 881546-91-4.
What is the molecular formula of (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
The molecular formula of (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is C13H14N2O3S2.
What is the molecular weight of (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
The molecular weight of (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is 310.04 g/mol.
Where can I buy (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
You can request a quote for (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.