(E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid
TL;DR: (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid (CAS 531494-65-2) is a chemical compound with molecular formula C19H15NO4S2 and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid, {4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid, 2-[4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic Acid, 2-[4-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
| Molecular Formula | C19H15NO4S2 |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 3.5514 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.04425 |
| Heavy Atoms | 26 |
| Complexity | 862.8677 |
Chemical Identifiers
| CAS Number | 531494-65-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(C=C3)OCC(=O)O)/SC2=S |
Product Overview
(E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid (CAS 531494-65-2), with molecular formula C19H15NO4S2 and molecular weight 385.04 g/mol. IUPAC: 2-[4-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid
Property Insights of (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid
The XLogP value of 3.5514 indicates that (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid has 1 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 (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid?
The CAS number of (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid is 531494-65-2.
What is the molecular formula of (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid?
The molecular formula of (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid is C19H15NO4S2.
What is the molecular weight of (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid?
The molecular weight of (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid is 385.04 g/mol.
Where can I buy (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid?
You can request a quote for (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.