![Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate structure](/static/products/374/374608-62-5.png)
Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate
TL;DR: Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate (CAS 374608-62-5) is a chemical compound with molecular formula C18H16N2O2S3 and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(phenylcarbamothioylamino)-4-thiophen-2-ylthiophene-3-carboxylate
Also Known As: BAS 02055939, ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate, ethyl 2-(phenylcarbamothioylamino)-4-thiophen-2-ylthiophene-3-carboxylate, ethyl 5'-[(phenylcarbamothioyl)amino]-2,3'-bithiophene-4'-carboxylate, 5'-(3-Phenyl-thioureido)-[2,3']bithiophenyl-4'-carboxylic acid ethyl ester
| Molecular Formula | C18H16N2O2S3 |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 5.4622 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.03738 |
| Heavy Atoms | 25 |
| Complexity | 857.84576 |
Chemical Identifiers
| CAS Number | 374608-62-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NC3=CC=CC=C3 |
Product Overview
Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate (CAS 374608-62-5), with molecular formula C18H16N2O2S3 and molecular weight 388.04 g/mol. IUPAC: ethyl 2-(phenylcarbamothioylamino)-4-thiophen-2-ylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate
Property Insights of Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate
The XLogP value of 5.4622 indicates that Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-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 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate?
The CAS number of Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate is 374608-62-5.
What is the molecular formula of Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate?
The molecular formula of Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate is C18H16N2O2S3.
What is the molecular weight of Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate?
The molecular weight of Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate is 388.04 g/mol.
Where can I buy Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate?
You can request a quote for Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5'-(3-phenylthioureido)-[2,3'-bithiophene]-4'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.