ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate (CAS 338419-80-0) is a chemical compound with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylanilino)-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
Also Known As: Bionet1_000889, ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate, 4F-955, ethyl 2-[(4-methylphenyl)amino]-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate, ethyl 2-(4-methylanilino)-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate
| Molecular Formula | C20H19N3O4 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 4.81862 |
| Topological Polar Surface Area | 97.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.13754 |
| Heavy Atoms | 27 |
| Complexity | 977.14685 |
Chemical Identifiers
| CAS Number | 338419-80-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C |
Product Overview
ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate (CAS 338419-80-0), with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol. IUPAC: ethyl 2-(4-methylanilino)-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate
The XLogP value of 4.81862 indicates that ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate is 338419-80-0.
What is the molecular formula of ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate is C20H19N3O4.
What is the molecular weight of ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate is 365.14 g/mol.
Where can I buy ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-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 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(3-nitrophenyl)-2-(4-toluidino)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.