Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate
TL;DR: Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate (CAS 33369-47-0) 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 2-(1,4-dimethylpyrrol-2-yl)acetate
Also Known As: Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate, ethyl 2-(1,4-dimethylpyrrol-2-yl)acetate, ethyl 1,4-dimethylpyrrole-2-acetate, ethyl 2-(1,4-dimethyl-1H-pyrrol-2-yl)acetate, ethyl(1,4-dimethyl-1h-pyrrol-2-yl)acetate
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 33369-47-0 |
|---|---|
| SMILES | CCOC(=O)CC1=CC(=CN1C)C |
| InChIKey | PISHKRUMARWBKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate (CAS 33369-47-0), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: ethyl 2-(1,4-dimethylpyrrol-2-yl)acetate.
Chemical Property Profile of Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate
Property Insights of Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate. With a topological polar surface area (TPSA) of 31.2 Ų, Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate 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 1,4-dimethyl-1H-pyrrole-2-acetate?
The CAS number of Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate is 33369-47-0.
What is the molecular formula of Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate?
The molecular formula of Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate is C10H15NO2.
What is the molecular weight of Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate?
The molecular weight of Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate is 181.11 g/mol.
Where can I buy Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate?
You can request a quote for Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.