ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 303126-23-0) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, IFLab1_001033, AB00091181-01, 5-(2-Cyano-acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, 1H-Pyrrole-3-carboxylicacid,5-(cyanoacetyl)-2,4-dimethyl-,ethylester(9CI)
Technical Specifications
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.10045 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.10045 Da |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CC#N)C |
| InChIKey | RUPPUQZHLSCLNK-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate 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
What is the CAS number of ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 303126-23-0.
What is the molecular formula of ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C12H14N2O3.
What is the molecular weight of ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 234.10045 g/mol.
Where can I buy ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-(2-cyanoacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.