Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
TL;DR: Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate (CAS 3274-64-4) is a chemical compound with molecular formula C20H19NO2 and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
Also Known As: Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate, NCIOpen2_008631, BAS 01507993, Ethyl 4,5-Diphenyl-2-Methyl-3-Pyrrolecarboxylate, J1.447.752G
| Molecular Formula | C20H19NO2 |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.14157 |
| Heavy Atoms | 23 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 3274-64-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C |
| InChIKey | ABPDNHZRNOLJJN-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate (CAS 3274-64-4), with molecular formula C20H19NO2 and molecular weight 305.14 g/mol. IUPAC: ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
Property Insights of Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
The XLogP value of 4.6 indicates that Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 2 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-4,5-diphenyl-1H-pyrrole-3-carboxylate?
The CAS number of Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate is 3274-64-4.
What is the molecular formula of Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate?
The molecular formula of Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate is C20H19NO2.
What is the molecular weight of Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate?
The molecular weight of Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate is 305.14 g/mol.
Where can I buy Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate?
You can request a quote for Ethyl 2-methyl-4,5-diphenyl-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 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.