Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate
TL;DR: Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate (CAS 459147-44-5) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate
Also Known As: ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate, ethyl 2-methyl-4-((2-nitrophenyl)amino)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate, ethyl 2-methyl-4-[(2-nitrophenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
| Molecular Formula | C20H19N3O5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 3.2592 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.13248 |
| Heavy Atoms | 28 |
| Complexity | 957.32336 |
Chemical Identifiers
| CAS Number | 459147-44-5 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC=CC=C3[N+](=O)[O-])C |
Product Overview
Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate (CAS 459147-44-5), with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol. IUPAC: ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate
Property Insights of Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate
The XLogP value of 3.2592 indicates that Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-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 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-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 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate?
The CAS number of Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate is 459147-44-5.
What is the molecular formula of Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate?
The molecular formula of Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate is C20H19N3O5.
What is the molecular weight of Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate?
The molecular weight of Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate is 381.13 g/mol.
Where can I buy Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate?
You can request a quote for Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-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 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4-(2-nitroanilino)-5-oxo-1-phenylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.