Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
TL;DR: Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate (CAS 138648-23-4) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
Also Known As: Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate, 3-ethyl-5-methyl-1h-pyrrole-2-carboxylic acid benzyl ester
Technical Specifications
| Molecular Formula | C15H17NO2 |
| Molecular Weight | 243.12593 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.12593 Da |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
| SMILES | CCC1=C(NC(=C1)C)C(=O)OCC2=CC=CC=C2 |
| InChIKey | HLCRCJDSWTYIDG-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
Property Insights of Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.6 indicates that Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-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, Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-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
What is the CAS number of Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
The CAS number of Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate is 138648-23-4.
What is the molecular formula of Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate is C15H17NO2.
What is the molecular weight of Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate is 243.12593 g/mol.
Where can I buy Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Benzyl 3-ethyl-5-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.