![Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate structure](/static/products/5903/590350-05-3.webp)
Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate
TL;DR: Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate (CAS 590350-05-3) is a chemical compound with molecular formula C22H22N2O2S2 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-phenyl-2-(2-phenylethylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: ethyl 2-(3-phenethylthioureido)-5-phenylthiophene-3-carboxylate, ethyl 2-(phenethylcarbamothioylamino)-5-phenylthiophene-3-carboxylate, Ethyl 2-(phenethylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylate, ethyl 5-phenyl-2-({[(2-phenylethyl)amino]thioxomethyl}amino)thiophene-3-carbox ylate, ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H22N2O2S2 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 5.1209 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.11227 |
| Heavy Atoms | 28 |
| Complexity | 924.2245 |
Chemical Identifiers
| CAS Number | 590350-05-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCC3=CC=CC=C3 |
Product Overview
Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate (CAS 590350-05-3), with molecular formula C22H22N2O2S2 and molecular weight 410.11 g/mol. IUPAC: ethyl 5-phenyl-2-(2-phenylethylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate
Property Insights of Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate
The XLogP value of 5.1209 indicates that Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate?
The CAS number of Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate is 590350-05-3.
What is the molecular formula of Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate?
The molecular formula of Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate is C22H22N2O2S2.
What is the molecular weight of Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate?
The molecular weight of Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate is 410.11 g/mol.
Where can I buy Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate?
You can request a quote for Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-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 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.