![ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate structure](/static/products/473/473564-71-5.png)
ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
TL;DR: ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate (CAS 473564-71-5) is a chemical compound with molecular formula C20H18BrN3O5 and molecular weight 459.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-bromo-2-methyl-4-(3-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate
Also Known As: ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate, ethyl 3-bromo-2-methyl-4-(3-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate, ethyl 3-bromo-2-methyl-4-((3-nitrophenyl)amino)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate, Ethyl 3-bromo-2-methyl-4-(3-nitroanilino)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
| Molecular Formula | C20H18BrN3O5 |
|---|---|
| Molecular Weight | 459.04 g/mol |
| LogP | 3.9818 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.04297 |
| Heavy Atoms | 29 |
| Complexity | 1008.1861 |
Chemical Identifiers
| CAS Number | 473564-71-5 |
|---|---|
| SMILES | CCOC(=O)C1(C(=C(C(=O)N1C2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])Br)C |
Product Overview
ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate (CAS 473564-71-5), with molecular formula C20H18BrN3O5 and molecular weight 459.04 g/mol. IUPAC: ethyl 3-bromo-2-methyl-4-(3-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate.
Chemical Property Profile of ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
Property Insights of ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
The XLogP value of 3.9818 indicates that ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 6 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-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate is 473564-71-5.
What is the molecular formula of ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate is C20H18BrN3O5.
What is the molecular weight of ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate is 459.04 g/mol.
Where can I buy ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-bromo-2-methyl-4-[(3-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.