Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate
TL;DR: Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate (CAS 91181-19-0) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1H-pyrrol-2-yl)-3,4-dihydro-2H-pyrrole-2-carboxylate
Also Known As: Ethyl 5-pyrrol-2-ylidenepyrrolidine-2-carboxylate, ETHYL 2-(2-PYRROLYL)-1-PYRROLINE-5-CARBOXYLATE, ethyl (5E)-5-pyrrol-2-ylidenepyrrolidine-2-carboxylate, Ethyl 4',5'-dihydro-1H,3'H-[2,2'-bipyrrole]-5'-carboxylate, 4,5-dihydro-3H,1'H-[2,2']bipyrrolyl-5-carboxylic acid ethyl ester
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 1.5293 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 367.94946 |
Chemical Identifiers
| CAS Number | 91181-19-0 |
|---|---|
| SMILES | CCOC(=O)C1CCC(=N1)C2=CC=CN2 |
Product Overview
Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate (CAS 91181-19-0), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: ethyl 5-(1H-pyrrol-2-yl)-3,4-dihydro-2H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate
Property Insights of Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate
The XLogP value of 1.5293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate. With a topological polar surface area (TPSA) of 54.45 Ų, Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-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 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate?
The CAS number of Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate is 91181-19-0.
What is the molecular formula of Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate?
The molecular formula of Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate is C11H14N2O2.
What is the molecular weight of Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate?
The molecular weight of Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate is 206.11 g/mol.
Where can I buy Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate?
You can request a quote for Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-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-(2-pyrrolyl)-1-pyrroline-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-pyrrolyl)-1-pyrroline-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.