ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate (CAS 145162-35-2) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-amino-4-cyano-1-propan-2-ylpyrrole-2-carboxylate
Also Known As: ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate, ethyl 3-amino-4-cyano-1-propan-2-ylpyrrole-2-carboxylate, ETHYL 3-AMINO-4-CYANO-1-(PROPAN-2-YL)-1H-PYRROLE-2-CARBOXYLATE, G61787
Technical Specifications
| Molecular Formula | C11H15N3O2 |
| Molecular Weight | 221.11642 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 81.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.11642 Da |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
| SMILES | CCOC(=O)C1=C(C(=CN1C(C)C)C#N)N |
| InChIKey | RWVVNYFENHLLPA-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-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 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate is 145162-35-2.
What is the molecular formula of ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate is C11H15N3O2.
What is the molecular weight of ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate is 221.11642 g/mol.
Where can I buy ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-amino-4-cyano-1-isopropyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.