![(3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid structure](/static/products/488/488130-85-4.png)
(3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
TL;DR: (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid (CAS 488130-85-4) is a chemical compound with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid, 2-(3-((E)-((E)-3-ethyl-2-((4-(methoxycarbonyl)phenyl)imino)-4-oxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid, 2-[3-[(E)-[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C22H20N2O6S |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 3.5605 |
| Topological Polar Surface Area | 105.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.10422 |
| Heavy Atoms | 31 |
| Complexity | 1061.9258 |
Chemical Identifiers
| CAS Number | 488130-85-4 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CC(=CC=C2)OCC(=O)O)/SC1=NC3=CC=C(C=C3)C(=O)OC |
Product Overview
(3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid (CAS 488130-85-4), with molecular formula C22H20N2O6S and molecular weight 440.10 g/mol. IUPAC: 2-[3-[(E)-[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
Property Insights of (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
The XLogP value of 3.5605 indicates that (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid. Following Lipinski's Rule of Five, (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid has 1 hydrogen bond donor(s) and 7 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 (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid?
The CAS number of (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid is 488130-85-4.
What is the molecular formula of (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid?
The molecular formula of (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid is C22H20N2O6S.
What is the molecular weight of (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid?
The molecular weight of (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid is 440.10 g/mol.
Where can I buy (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid?
You can request a quote for (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-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 (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-{(E)-[(2E)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.