Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate
TL;DR: Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate (CAS 22108-58-3) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate
Also Known As: J3.383.621J, ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate, ethyl 2-methyl-4-(4-nitrophenyl)-1-phenyl-1H-pyrrole-3-carboxylate, ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxyla, 2-Methyl-4-(4-nitrophenyl)-1-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 22108-58-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C |
| InChIKey | KDSKSQYCMGAPTN-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate (CAS 22108-58-3), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate
Property Insights of Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate
The XLogP value of 4.4 indicates that Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate has 0 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 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate?
The CAS number of Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate is 22108-58-3.
What is the molecular formula of Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate?
The molecular formula of Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate is C20H18N2O4.
What is the molecular weight of Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate?
The molecular weight of Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate is 350.13 g/mol.
Where can I buy Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate?
You can request a quote for Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-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 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.