Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
TL;DR: Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate (CAS 117516-88-8) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-pyridin-4-ylthiophene-3-carboxylate
Also Known As: ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate, ethyl 2-amino-4-(4-pyridinyl)-3-thiophenecarboxylate, ethyl 2-amino-4-pyridin-4-ylthiophene-3-carboxylate, ethyl 2-amino-4-(4-pyridyl)thiophene-3-carboxylate, SDCCGMLS-0029515.P002
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.569 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 522.5568 |
Chemical Identifiers
| CAS Number | 117516-88-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=NC=C2)N |
Product Overview
Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate (CAS 117516-88-8), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: ethyl 2-amino-4-pyridin-4-ylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
Property Insights of Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
The XLogP value of 2.569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate 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 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate?
The CAS number of Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate is 117516-88-8.
What is the molecular formula of Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate?
The molecular formula of Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate is C12H12N2O2S.
What is the molecular weight of Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate?
The molecular weight of Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate is 248.06 g/mol.
Where can I buy Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate?
You can request a quote for Ethyl 2-amino-4-(pyridin-4-yl)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-amino-4-(pyridin-4-yl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.