methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate
TL;DR: methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate (CAS 701967-10-4) is a chemical compound with molecular formula C21H26N4O6S2 and molecular weight 494.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate
Also Known As: methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-2-{[(4-ethoxy-2-nitrophenyl)carbamothioyl]amino}-4-methylthiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-2-({[(4-ethoxy-2-nitrophenyl)amino]thioxomethy l}amino)-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H26N4O6S2 |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | 4.44092 |
| Topological Polar Surface Area | 123.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.12936 |
| Heavy Atoms | 33 |
| Complexity | 1065.2645 |
Chemical Identifiers
| CAS Number | 701967-10-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-])C(=O)OC)C |
Product Overview
methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate (CAS 701967-10-4), with molecular formula C21H26N4O6S2 and molecular weight 494.13 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate
Property Insights of methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate
The XLogP value of 4.44092 indicates that methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.04 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 8 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 methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate is 701967-10-4.
What is the molecular formula of methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate is C21H26N4O6S2.
What is the molecular weight of methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate is 494.13 g/mol.
Where can I buy methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(diethylcarbamoyl)-2-(3-(4-ethoxy-2-nitrophenyl)thioureido)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.