Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate (CAS 2199-46-4) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate, Ethyl 3,4,5-trimethylpyrrole-2-carboxylate, Maybridge1_001943, 2,3,4-Trimethyl-5-carbethoxy-pyrrole, ETHYL 3,4,5-TRIMETHYL-2-PYRROLECARBOXYLATE
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 2199-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C)C |
| InChIKey | WBOGFZDTCIQHSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate (CAS 2199-46-4), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4,5-trimethyl-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 3,4,5-trimethyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate is 2199-46-4.
What is the molecular formula of Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate is C10H15NO2.
What is the molecular weight of Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate is 181.11 g/mol.
Where can I buy Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 3,4,5-trimethyl-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 3,4,5-trimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.