![diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/7012/701282-45-3.webp)
diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 701282-45-3) is a chemical compound with molecular formula C18H20N2O6S3 and molecular weight 456.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(3-(2-(methoxycarbonyl)thiophen-3-yl)thioureido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-2-[({[2-(methoxycarbonyl)(3-thienyl)]amino}thioxometh yl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C18H20N2O6S3 |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 4.06692 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.04834 |
| Heavy Atoms | 29 |
| Complexity | 934.17163 |
Chemical Identifiers
| CAS Number | 701282-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(SC=C2)C(=O)OC |
Product Overview
diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 701282-45-3), with molecular formula C18H20N2O6S3 and molecular weight 456.05 g/mol. IUPAC: diethyl 5-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.06692 indicates that diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 9 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 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is 701282-45-3.
What is the molecular formula of diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is C18H20N2O6S3.
What is the molecular weight of diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is 456.05 g/mol.
Where can I buy diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-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 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.