![Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate structure](/static/products/309/309738-27-0.png)
Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate
TL;DR: Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate (CAS 309738-27-0) is a chemical compound with molecular formula C16H18N2O2S3 and molecular weight 366.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-4-thiophen-3-ylthiophene-3-carboxylate
Also Known As: TimTec1_006983, BAS 00435725, AB00085929-01, BRD-K66849399-001-02-1, ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate
| Molecular Formula | C16H18N2O2S3 |
|---|---|
| Molecular Weight | 366.05 g/mol |
| LogP | 4.5158 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.05304 |
| Heavy Atoms | 23 |
| Complexity | 704.9887 |
Chemical Identifiers
| CAS Number | 309738-27-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CSC=C2)NC(=S)NCC(=C)C |
Product Overview
Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate (CAS 309738-27-0), with molecular formula C16H18N2O2S3 and molecular weight 366.05 g/mol. IUPAC: ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-4-thiophen-3-ylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate
Property Insights of Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate
The XLogP value of 4.5158 indicates that Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-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-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate 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 Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate?
The CAS number of Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate is 309738-27-0.
What is the molecular formula of Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate?
The molecular formula of Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate is C16H18N2O2S3.
What is the molecular weight of Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate?
The molecular weight of Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate is 366.05 g/mol.
Where can I buy Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate?
You can request a quote for Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-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-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(3-(2-methylallyl)thioureido)-[3,3'-bithiophene]-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.