diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 708237-96-1) is a chemical compound with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(3-(2,3-dihydro-1H-inden-5-yl)thioureido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[(2,3-dihydro-1H-inden-5-ylcarbamothioyl)amino]-3-methylthiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-2-{[(indan-5-ylamino)thioxomethyl]amino}-4-methylthio phene-3-carboxylate
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 4.70752 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 952.398 |
Chemical Identifiers
| CAS Number | 708237-96-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(CCC3)C=C2 |
Product Overview
diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate (CAS 708237-96-1), with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol. IUPAC: diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.70752 indicates that diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate 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 diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate is 708237-96-1.
What is the molecular formula of diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate is C21H24N2O4S2.
What is the molecular weight of diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate is 432.12 g/mol.
Where can I buy diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-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-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.