Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate
TL;DR: Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate (CAS 33369-46-9) 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.
2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylic acid
Also Known As: Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate, 2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-1h-pyrrole-3-carboxylic acid, ethyl 3-carboxy-1,4-dimethylpyrrole-2-acetate, 2-Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate, 2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylic acid
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 33369-46-9 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(=CN1C)C)C(=O)O |
| InChIKey | YVNJDVHARWCERO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate (CAS 33369-46-9), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: 2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylic acid.
Chemical Property Profile of Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate
Property Insights of Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate. Following Lipinski's Rule of Five, Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate has 1 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 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate?
The CAS number of Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate is 33369-46-9.
What is the molecular formula of Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate?
The molecular formula of Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate is C11H15NO4.
What is the molecular weight of Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate?
The molecular weight of Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate is 225.10 g/mol.
Where can I buy Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate?
You can request a quote for Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.