Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
TL;DR: Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate (CAS 332017-63-7) is a chemical compound with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
Also Known As: BAS 00796088, BIM-0012883.P001, ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate, ethyl 2-(benzoylcarbamothioylamino)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate, ETHYL 2-{[(BENZOYLAMINO)CARBOTHIOYL]AMINO}-4-(2,4-DIMETHYLPHENYL)-3-THIOPHENECARBOXYLATE
| Molecular Formula | C23H22N2O3S2 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 5.33544 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.10718 |
| Heavy Atoms | 30 |
| Complexity | 1091.0826 |
Chemical Identifiers
| CAS Number | 332017-63-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate (CAS 332017-63-7), with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
Property Insights of Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
The XLogP value of 5.33544 indicates that Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
The CAS number of Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate is 332017-63-7.
What is the molecular formula of Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
The molecular formula of Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate is C23H22N2O3S2.
What is the molecular weight of Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
The molecular weight of Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate is 438.11 g/mol.
Where can I buy Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
You can request a quote for Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-benzoylthioureido)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.