Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate
TL;DR: Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate (CAS 54583-59-4) is a chemical compound with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate
Also Known As: ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate, Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1H-pyrrole-3-carboxylate
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 54583-59-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C |
| InChIKey | DFSHKQAOJBYNME-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate (CAS 54583-59-4), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate
Property Insights of Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate
The XLogP value of 4.4 indicates that Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate has 0 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 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate?
The CAS number of Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate is 54583-59-4.
What is the molecular formula of Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate?
The molecular formula of Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate is C21H20N2O5.
What is the molecular weight of Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate?
The molecular weight of Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate is 380.14 g/mol.
Where can I buy Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate?
You can request a quote for Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)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 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.