Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate
TL;DR: Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate (CAS 477501-95-4) is a chemical compound with molecular formula C17H14N2O4S2 and molecular weight 374.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(thiophene-2-carbonylcarbamothioylamino)-1-benzofuran-2-carboxylate
Also Known As: F0846-0782, ethyl 3-({[(thiophen-2-yl)formamido]methanethioyl}amino)-1-benzofuran-2-carboxylate, ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate, ethyl 3-(thiophene-2-carbonylcarbamothioylamino)-1-benzofuran-2-carboxylate
| Molecular Formula | C17H14N2O4S2 |
|---|---|
| Molecular Weight | 374.04 g/mol |
| LogP | 3.7978 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.0395 |
| Heavy Atoms | 25 |
| Complexity | 931.4353 |
Chemical Identifiers
| CAS Number | 477501-95-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=S)NC(=O)C3=CC=CS3 |
Product Overview
Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate (CAS 477501-95-4), with molecular formula C17H14N2O4S2 and molecular weight 374.04 g/mol. IUPAC: ethyl 3-(thiophene-2-carbonylcarbamothioylamino)-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate
Property Insights of Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate
The XLogP value of 3.7978 indicates that Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate 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 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate?
The CAS number of Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate is 477501-95-4.
What is the molecular formula of Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate is C17H14N2O4S2.
What is the molecular weight of Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate is 374.04 g/mol.
Where can I buy Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-(thiophene-2-carbonyl)thioureido)benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.