![diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate structure](/static/products/4336/433698-83-0.webp)
diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate
TL;DR: diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate (CAS 433698-83-0) is a chemical compound with molecular formula C25H24N2O5S2 and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate
Also Known As: diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate, diethyl 5-(3-([1,1'-biphenyl]-4-carbonyl)thioureido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-{[(biphenyl-4-ylcarbonyl)carbamothioyl]amino}-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C25H24N2O5S2 |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 5.20372 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.11267 |
| Heavy Atoms | 34 |
| Complexity | 1204.0488 |
Chemical Identifiers
| CAS Number | 433698-83-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 |
Product Overview
diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate (CAS 433698-83-0), with molecular formula C25H24N2O5S2 and molecular weight 496.11 g/mol. IUPAC: diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate
Property Insights of diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate
The XLogP value of 5.20372 indicates that diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate?
The CAS number of diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate is 433698-83-0.
What is the molecular formula of diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate?
The molecular formula of diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate is C25H24N2O5S2.
What is the molecular weight of diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate?
The molecular weight of diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate is 496.11 g/mol.
Where can I buy diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate?
You can request a quote for diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]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-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-methyl-5-[(4-phenylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.