![Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate structure](/static/products/5886/588696-64-4.webp)
Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate
TL;DR: Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate (CAS 588696-64-4) is a chemical compound with molecular formula C24H21N3O3S3 and molecular weight 495.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-5-benzylthiophene-3-carboxylate
Also Known As: Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate, Benzo[b]thiophene-3-carboxylic acid, 2-[[[3-(ethoxycarbonyl)-5-(phenylmethyl)-2-thienyl]amino]thioxomethyl]hydrazide (9CI), ethyl 2-({[(benzo[b]thiophen-3-ylcarbonylamino)amino]thioxomethyl}amino)-5-ben zylthiophene-3-carboxylate, ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-5-benzylthiophene-3-carboxylate, ethyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-5-benzylthiophene-3-carboxylate
| Molecular Formula | C24H21N3O3S3 |
|---|---|
| Molecular Weight | 495.07 g/mol |
| LogP | 5.3617 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.0745 |
| Heavy Atoms | 33 |
| Complexity | 1298.038 |
Chemical Identifiers
| CAS Number | 588696-64-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC4=CC=CC=C43 |
Product Overview
Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate (CAS 588696-64-4), with molecular formula C24H21N3O3S3 and molecular weight 495.07 g/mol. IUPAC: ethyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-5-benzylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate
Property Insights of Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate
The XLogP value of 5.3617 indicates that Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate?
The CAS number of Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate is 588696-64-4.
What is the molecular formula of Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate is C24H21N3O3S3.
What is the molecular weight of Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate is 495.07 g/mol.
Where can I buy Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-5-benzylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.