(E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid
TL;DR: (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid (CAS 428468-37-5) is a chemical compound with molecular formula C20H17NO6S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-methoxy-4-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid, 3-({2-METHOXY-4-[(3-METHYL-2,4-DIOXO-1,3-THIAZOLAN-5-YLIDEN)METHYL]PHENOXY}METHYL)BENZOIC ACID, 3-({2-methoxy-4-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzoic acid, 3-[[2-methoxy-4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic Acid, 3-[[2-methoxy-4-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C20H17NO6S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 3.6385 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.07767 |
| Heavy Atoms | 28 |
| Complexity | 984.41125 |
Chemical Identifiers
| CAS Number | 428468-37-5 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)O)OC)/SC1=O |
Product Overview
(E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid (CAS 428468-37-5), with molecular formula C20H17NO6S and molecular weight 399.08 g/mol. IUPAC: 3-[[2-methoxy-4-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid
Property Insights of (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid
The XLogP value of 3.6385 indicates that (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid has 1 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)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
The CAS number of (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid is 428468-37-5.
What is the molecular formula of (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
The molecular formula of (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid is C20H17NO6S.
What is the molecular weight of (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
The molecular weight of (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid is 399.08 g/mol.
Where can I buy (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
You can request a quote for (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((2-methoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.