Ethyl 4-methyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 4-methyl-1H-pyrrole-2-carboxylate (CAS 40611-85-6) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-methyl-1H-pyrrole-2-carboxylate, Ethyl 4-Methyl-2-pyrrolecarboxylate, 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester, 3-methyl-5-carbethoxypyrrole, Ethyl 4-methylpyrrole-2-carboxylate
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 40611-85-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CN1)C |
| InChIKey | RWFKYBVNHRKZSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-methyl-1H-pyrrole-2-carboxylate (CAS 40611-85-6), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: ethyl 4-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 4-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 4-methyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-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
Frequently Asked Questions
What is the CAS number of Ethyl 4-methyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-methyl-1H-pyrrole-2-carboxylate is 40611-85-6.
What is the molecular formula of Ethyl 4-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-methyl-1H-pyrrole-2-carboxylate is C8H11NO2.
What is the molecular weight of Ethyl 4-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-methyl-1H-pyrrole-2-carboxylate is 153.08 g/mol.
Where can I buy Ethyl 4-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-methyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.