Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate (CAS 89649-56-9) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate, 2-Carbethoxy-3,4-dimethyl-5-ethyl-pyrrole, ethyl 5-ethyl-3,4-dimethylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3,4-dimethyl-, ethyl ester, InChI=1/C11H17NO2/c1-5-9-7(3)8(4)10(12-9)11(13)14-6-2/h12H,5-6H2,1-4H
| Molecular Formula | C11H17NO2 |
|---|---|
| Molecular Weight | 195.13 g/mol |
| LogP | 2.37064 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.12593 |
| Heavy Atoms | 14 |
| Complexity | 339.30188 |
Chemical Identifiers
| CAS Number | 89649-56-9 |
|---|---|
| SMILES | CCC1=C(C(=C(N1)C(=O)OCC)C)C |
Product Overview
Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate (CAS 89649-56-9), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.37064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate is 89649-56-9.
What is the molecular formula of Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate is C11H17NO2.
What is the molecular weight of Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate is 195.13 g/mol.
Where can I buy Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-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-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.