ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate (CAS 488100-58-9) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dimethyl-1-(2-phenylethyl)pyrrole-3-carboxylate
Also Known As: ChemDiv2_008356, ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate, ethyl 2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrole-3-carboxylate, ethyl 2,5-dimethyl-1-(2-phenylethyl)pyrrole-3-carboxylate, ethyl 2,5-dimethyl-1-phenethylpyrrole-3-carboxylate
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 488100-58-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1)C)CCC2=CC=CC=C2)C |
| InChIKey | GTCXPJMNEVMKOO-UHFFFAOYSA-N |
Product Overview
ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate (CAS 488100-58-9), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: ethyl 2,5-dimethyl-1-(2-phenylethyl)pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.6 indicates that ethyl 2,5-dimethyl-1-phenethyl-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 31.2 Ų, ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate has 0 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 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate is 488100-58-9.
What is the molecular formula of ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate is C17H21NO2.
What is the molecular weight of ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate is 271.16 g/mol.
Where can I buy ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2,5-dimethyl-1-phenethyl-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 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,5-dimethyl-1-phenethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.