ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate (CAS 65155-73-9) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-1-benzyl-5-oxo-2H-pyrrole-3-carboxylate
Also Known As: ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate, ethyl 4-amino-1-benzyl-5-oxo-2H-pyrrole-3-carboxylate, 5176AE, 1-benzyl-3-benzylidene-5-phenylpyrrol-2-one, J1.931.437E
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 65155-73-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)N(C1)CC2=CC=CC=C2)N |
| InChIKey | RPGUZVBNBVXTFL-UHFFFAOYSA-N |
Product Overview
ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate (CAS 65155-73-9), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: ethyl 4-amino-1-benzyl-5-oxo-2H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-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
Frequently Asked Questions
What is the CAS number of ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate is 65155-73-9.
What is the molecular formula of ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate is C14H16N2O3.
What is the molecular weight of ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate is 260.12 g/mol.
Where can I buy ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.