diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate (CAS 433239-72-6) is a chemical compound with molecular formula C23H28N2O5S2 and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-({[(4-TERT-BUTYLPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-({[(4-tert-butylbenzoyl)amino]carbonothioyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C23H28N2O5S2 |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 4.83422 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.14395 |
| Heavy Atoms | 32 |
| Complexity | 1020.2431 |
Chemical Identifiers
| CAS Number | 433239-72-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate (CAS 433239-72-6), with molecular formula C23H28N2O5S2 and molecular weight 476.14 g/mol. IUPAC: diethyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.83422 indicates that diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-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 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-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 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate is 433239-72-6.
What is the molecular formula of diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate is C23H28N2O5S2.
What is the molecular weight of diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate is 476.14 g/mol.
Where can I buy diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-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-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-(3-(4-(tert-butyl)benzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.