![methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate structure](/static/products/4320/432019-81-3.webp)
methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
TL;DR: methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate (CAS 432019-81-3) is a chemical compound with molecular formula C19H14N2O6S and molecular weight 398.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate, (E)-methyl 4-((3-(3-nitrobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(E)-[3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
| Molecular Formula | C19H14N2O6S |
|---|---|
| Molecular Weight | 398.06 g/mol |
| LogP | 3.6179 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.05725 |
| Heavy Atoms | 28 |
| Complexity | 999.7384 |
Chemical Identifiers
| CAS Number | 432019-81-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate (CAS 432019-81-3), with molecular formula C19H14N2O6S and molecular weight 398.06 g/mol. IUPAC: methyl 4-[(E)-[3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
Property Insights of methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
The XLogP value of 3.6179 indicates that methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate has 0 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 methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate?
The CAS number of methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate is 432019-81-3.
What is the molecular formula of methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate?
The molecular formula of methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate is C19H14N2O6S.
What is the molecular weight of methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate?
The molecular weight of methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate is 398.06 g/mol.
Where can I buy methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate?
You can request a quote for methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.