Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate
TL;DR: Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate (CAS 53365-89-2) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
Also Known As: ChemDiv3_001390, 5-(Ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid, IDI1_020356, Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate, 2-carboxy-5-carbethoxy-3-ethyl-4-methylpyrrole
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 53365-89-2 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)OCC)C(=O)O |
| InChIKey | MKNHWTOENPMOPQ-UHFFFAOYSA-N |
Product Overview
Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate (CAS 53365-89-2), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: 5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate
Property Insights of Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate has 2 hydrogen bond donor(s) and 4 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-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate?
The CAS number of Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate is 53365-89-2.
What is the molecular formula of Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate?
The molecular formula of Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate is C11H15NO4.
What is the molecular weight of Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate?
The molecular weight of Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate is 225.10 g/mol.
Where can I buy Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate?
You can request a quote for Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-carboxy-4-ethyl-3-methyl-2-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.