![ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate structure](/static/products/5817/581781-18-2.webp)
ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate
TL;DR: ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate (CAS 581781-18-2) is a chemical compound with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate
Also Known As: ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate, 4-[[[2-(4-methoxyphenyl)-3-thiazolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester, ethyl 4-({[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate, ethyl 4-(2-(4-methoxyphenyl)thiazolidine-3-carbothioamido)benzoate, Benzoic acid, 4-[[[2-(4-methoxyphenyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)
| Molecular Formula | C20H22N2O3S2 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 4.3163 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.10718 |
| Heavy Atoms | 27 |
| Complexity | 793.879 |
Chemical Identifiers
| CAS Number | 581781-18-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(C=C3)OC |
Product Overview
ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate (CAS 581781-18-2), with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol. IUPAC: ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate
Property Insights of ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate
The XLogP value of 4.3163 indicates that ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate 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 ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate?
The CAS number of ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate is 581781-18-2.
What is the molecular formula of ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate?
The molecular formula of ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate is C20H22N2O3S2.
What is the molecular weight of ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate?
The molecular weight of ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate is 402.11 g/mol.
Where can I buy ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate?
You can request a quote for ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.