Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie
TL;DR: Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie (CAS 590380-38-4) is a chemical compound with molecular formula C23H26N2O3S3 and molecular weight 474.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioyl]amino]benzoate
Also Known As: Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie, ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethylbut-1-yn-1-yl)thiophen-2-yl]-1,3-thiazolidin-3-yl}carbonothioyl)amino]benzoate, Benzoicacid,4-[[[2-[5- -2-thienyl]-3-thiazolidinyl]thioxomethyl]amino]-,ethylester, Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethylbut-1-yn-1-yl)-2-thienyl]-1,3-thiazolidin-3-yl}carbothioyl)amino]benzoate, ethyl 4-[[2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioyl]amino]benzoate
| Molecular Formula | C23H26N2O3S3 |
|---|---|
| Molecular Weight | 474.11 g/mol |
| LogP | 4.7392 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.11057 |
| Heavy Atoms | 31 |
| Complexity | 989.4859 |
Chemical Identifiers
| CAS Number | 590380-38-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(S3)C#CC(C)(C)CO |
Product Overview
Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie (CAS 590380-38-4), with molecular formula C23H26N2O3S3 and molecular weight 474.11 g/mol. IUPAC: ethyl 4-[[2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie
Property Insights of Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie
The XLogP value of 4.7392 indicates that Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie. Following Lipinski's Rule of Five, Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie has 2 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 Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie?
The CAS number of Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie is 590380-38-4.
What is the molecular formula of Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie?
The molecular formula of Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie is C23H26N2O3S3.
What is the molecular weight of Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie?
The molecular weight of Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie is 474.11 g/mol.
Where can I buy Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie?
You can request a quote for Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie 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-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[({2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thie and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.