Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate
TL;DR: Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate (CAS 590352-53-7) is a chemical compound with molecular formula C20H19N3O2S2 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: AO-476/42871122, ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate, ethyl 5-phenyl-2-({[(3-pyridinylmethyl)amino]carbothioyl}amino)-3-thiophenecarboxylate, ethyl 5-phenyl-2-(3-(pyridin-3-ylmethyl)thioureido)thiophene-3-carboxylate, ethyl 5-phenyl-2-({[(3-pyridylmethyl)amino]thioxomethyl}amino)thiophene-3-carb oxylate
| Molecular Formula | C20H19N3O2S2 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 4.4734 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.09186 |
| Heavy Atoms | 27 |
| Complexity | 911.49097 |
Chemical Identifiers
| CAS Number | 590352-53-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CN=CC=C3 |
Product Overview
Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate (CAS 590352-53-7), with molecular formula C20H19N3O2S2 and molecular weight 397.09 g/mol. IUPAC: ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate
Property Insights of Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate
The XLogP value of 4.4734 indicates that Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate has 2 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 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate?
The CAS number of Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate is 590352-53-7.
What is the molecular formula of Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate?
The molecular formula of Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate is C20H19N3O2S2.
What is the molecular weight of Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate?
The molecular weight of Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate is 397.09 g/mol.
Where can I buy Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate?
You can request a quote for Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)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-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-phenyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.