2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester
TL;DR: 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester (CAS 332017-64-8) is a chemical compound with molecular formula C21H18N2O3S2 and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-4-phenylthiophene-3-carboxylate
Also Known As: BAS 00796089, 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester, ethyl 2-(3-benzoylthioureido)-4-phenylthiophene-3-carboxylate, ethyl 2-(benzoylcarbamothioylamino)-4-phenylthiophene-3-carboxylate, ethyl 4-phenyl-2-{[(phenylcarbonyl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H18N2O3S2 |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 4.7186 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0759 |
| Heavy Atoms | 28 |
| Complexity | 985.4 |
Chemical Identifiers
| CAS Number | 332017-64-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester (CAS 332017-64-8), with molecular formula C21H18N2O3S2 and molecular weight 410.08 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester
Property Insights of 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester
The XLogP value of 4.7186 indicates that 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester 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 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester has 2 hydrogen bond donor(s) and 5 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 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester?
The CAS number of 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester is 332017-64-8.
What is the molecular formula of 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester?
The molecular formula of 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester is C21H18N2O3S2.
What is the molecular weight of 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester?
The molecular weight of 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester is 410.08 g/mol.
Where can I buy 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester?
You can request a quote for 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzoyl-thioureido)-4-phenyl-thiophene-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.