Ethyl 2-methyl-3-pyrrolecarboxylate
TL;DR: Ethyl 2-methyl-3-pyrrolecarboxylate (CAS 1326714-80-0) is a chemical compound with molecular formula CCOC(=O)C1=C(NC=C1)C and molecular weight 153.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2-methyl-1H-pyrrole-3-carboxylate, 2-Methyl-1H-pyrrole-3-carboxylic acid ethyl ester, ETHYL 2-METHYLPYRROLE-3-CARBOXYLATE, 3-carbethoxy-2-methylpyrrole, 2-methyl-3-carbethoxy-pyrrole
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CCOC(=O)C1=C(NC=C1)C |
| Molecular Weight | 153.07898 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.07898 Da |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
| SMILES | CCOC(=O)C1=C(NC=C1)C |
| InChIKey | DJDPDVJJTIGJTE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-methyl-3-pyrrolecarboxylate
Property Insights of Ethyl 2-methyl-3-pyrrolecarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-3-pyrrolecarboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 2-methyl-3-pyrrolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-pyrrolecarboxylate 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 Ethyl 2-methyl-3-pyrrolecarboxylate?
The CAS number of Ethyl 2-methyl-3-pyrrolecarboxylate is 1326714-80-0.
What is the molecular formula of Ethyl 2-methyl-3-pyrrolecarboxylate?
The molecular formula of Ethyl 2-methyl-3-pyrrolecarboxylate is CCOC(=O)C1=C(NC=C1)C.
What is the molecular weight of Ethyl 2-methyl-3-pyrrolecarboxylate?
The molecular weight of Ethyl 2-methyl-3-pyrrolecarboxylate is 153.07898 g/mol.
Where can I buy Ethyl 2-methyl-3-pyrrolecarboxylate?
You can request a quote for Ethyl 2-methyl-3-pyrrolecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-methyl-3-pyrrolecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-methyl-3-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.