Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate
TL;DR: Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate (CAS 75877-43-9) is a chemical compound with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate
Also Known As: AI-942/13331868, ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate, ethyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate
| Molecular Formula | C13H13NO2S2 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 3.7389 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.03876 |
| Heavy Atoms | 18 |
| Complexity | 555.5632 |
Chemical Identifiers
| CAS Number | 75877-43-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(S1)/C=C/C2=CC=CS2)N |
Product Overview
Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate (CAS 75877-43-9), with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol. IUPAC: ethyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate
Property Insights of Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate
The XLogP value of 3.7389 indicates that Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate has 1 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 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate?
The CAS number of Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate is 75877-43-9.
What is the molecular formula of Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate?
The molecular formula of Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate is C13H13NO2S2.
What is the molecular weight of Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate?
The molecular weight of Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate is 279.04 g/mol.
Where can I buy Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate?
You can request a quote for Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-5-[2-(2-thienyl)vinyl]-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.