Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 27093-41-0) 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 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate, 3-Carbethoxy-4,5-dimethyl-2-ethyl-pyrrole, 2-ethyl-4,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester
| 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 | 27093-41-0 |
|---|---|
| SMILES | CCC1=C(C(=C(N1)C)C)C(=O)OCC |
Product Overview
Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 27093-41-0), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.37064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-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 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate is 27093-41-0.
What is the molecular formula of Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate is C11H17NO2.
What is the molecular weight of Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate is 195.13 g/mol.
Where can I buy Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for Ethyl 2-ethyl-4,5-dimethyl-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 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethyl-4,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.