Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate (CAS 2199-47-5) 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 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, Maybridge1_002027, Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate, 7490AD, 2,4-Dimethyl-3-ethyl-5-carbethoxy-pyrrole
| Molecular Formula | C11H17NO2 |
|---|---|
| Molecular Weight | 195.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.12593 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 2199-47-5 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)OCC)C |
| InChIKey | GIGBRYTXWUHNAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate (CAS 2199-47-5), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dimethyl-4-ethyl-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 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate is 2199-47-5.
What is the molecular formula of Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate is C11H17NO2.
What is the molecular weight of Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate is 195.13 g/mol.
Where can I buy Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 3,5-dimethyl-4-ethyl-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 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.