diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate
TL;DR: diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate (CAS 701938-71-8) is a chemical compound with molecular formula C18H26N2O5S2 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[1-(oxolan-2-yl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate
Also Known As: diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[1-(oxolan-2-yl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-({[1-(tetrahydrofuran-2-yl)ethyl]carbamothioyl}amino)thiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-4-methyl-2-({[(oxolan-2-ylethyl)amino]thioxomethyl}am ino)thiophene-3-carboxylate
| Molecular Formula | C18H26N2O5S2 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 3.26382 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.12833 |
| Heavy Atoms | 27 |
| Complexity | 698.16925 |
Chemical Identifiers
| CAS Number | 701938-71-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)C2CCCO2 |
Product Overview
diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate (CAS 701938-71-8), with molecular formula C18H26N2O5S2 and molecular weight 414.13 g/mol. IUPAC: diethyl 3-methyl-5-[1-(oxolan-2-yl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate
Property Insights of diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate
The XLogP value of 3.26382 indicates that diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 7 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 diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate?
The CAS number of diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate is 701938-71-8.
What is the molecular formula of diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate?
The molecular formula of diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate is C18H26N2O5S2.
What is the molecular weight of diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate?
The molecular weight of diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate is 414.13 g/mol.
Where can I buy diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate?
You can request a quote for diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-methyl-5-(3-(1-(tetrahydrofuran-2-yl)ethyl)thioureido)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.