![3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid structure](/static/products/4320/432002-05-6.webp)
3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
TL;DR: 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid (CAS 432002-05-6) is a chemical compound with molecular formula C22H16ClNO6S and molecular weight 457.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
Also Known As: 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid, (E)-3-((2-chloro-4-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)-6-methoxyphenoxy)methyl)benzoic acid, 3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
| Molecular Formula | C22H16ClNO6S |
|---|---|
| Molecular Weight | 457.04 g/mol |
| LogP | 4.2953 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.0387 |
| Heavy Atoms | 31 |
| Complexity | 1137.3064 |
Chemical Identifiers
| CAS Number | 432002-05-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC#C)Cl)OCC3=CC(=CC=C3)C(=O)O |
Product Overview
3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid (CAS 432002-05-6), with molecular formula C22H16ClNO6S and molecular weight 457.04 g/mol. IUPAC: 3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
Property Insights of 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
The XLogP value of 4.2953 indicates that 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)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 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)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 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid?
The CAS number of 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid is 432002-05-6.
What is the molecular formula of 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid?
The molecular formula of 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid is C22H16ClNO6S.
What is the molecular weight of 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid?
The molecular weight of 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid is 457.04 g/mol.
Where can I buy 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid?
You can request a quote for 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)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 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-chloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.