Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate
TL;DR: Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate (CAS 1046792-75-9) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylate
Also Known As: Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate, Ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 4-(4-pyridinyl)-, ethyl ester, ethyl 4-(4-pyridyl)-1H-pyrrole-3-carboxylate, 4CH-012265
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 1046792-75-9 |
|---|---|
| SMILES | CCOC(=O)C1=CNC=C1C2=CC=NC=C2 |
| InChIKey | JPDVHPANJIDEHD-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate (CAS 1046792-75-9), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate
Property Insights of Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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-(pyridin-4-yl)-1H-pyrrole-3-carboxylate?
The CAS number of Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate is 1046792-75-9.
What is the molecular formula of Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate?
The molecular formula of Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate is C12H12N2O2.
What is the molecular weight of Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate?
The molecular weight of Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate is 216.09 g/mol.
Where can I buy Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate?
You can request a quote for Ethyl 4-(pyridin-4-yl)-1H-pyrrole-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 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.