2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
TL;DR: 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 82159-01-1) is a chemical compound with molecular formula C14H10ClNO3S2 and molecular weight 338.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, {(5E)-5-[(2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, 2-[(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C14H10ClNO3S2 |
|---|---|
| Molecular Weight | 338.98 g/mol |
| LogP | 3.0951 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.97906 |
| Heavy Atoms | 21 |
| Complexity | 655.4428 |
Chemical Identifiers
| CAS Number | 82159-01-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)\Cl |
Product Overview
2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 82159-01-1), with molecular formula C14H10ClNO3S2 and molecular weight 338.98 g/mol. IUPAC: 2-[(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
Property Insights of 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
The XLogP value of 3.0951 indicates that 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid has 1 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 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The CAS number of 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is 82159-01-1.
What is the molecular formula of 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The molecular formula of 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is C14H10ClNO3S2.
What is the molecular weight of 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The molecular weight of 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is 338.98 g/mol.
Where can I buy 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
You can request a quote for 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.