ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate (CAS 118082-70-5) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate, 5-Hydroxypicolinaldehyde oxime, Bionet2_000286, 2-Pyridinecarboxaldehyde,5-hydroxy-,oxime(9CI), 4507AD
Technical Specifications
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.10553 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 68.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.10553 Da |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
| SMILES | CCOC(=O)C1=C(NC=C1C2=CC=CC=C2)N |
| InChIKey | YRZHKCQCHAZCNB-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate has 2 hydrogen bond donor(s) and 3 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 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate is 118082-70-5.
What is the molecular formula of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate is C13H14N2O2.
What is the molecular weight of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate is 230.10553 g/mol.
Where can I buy ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.