Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate
TL;DR: Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate (CAS 21898-45-3) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-methylpyrrol-2-yl)-2-oxoacetate
Also Known As: ethyl 1-methylpyrrole-2-oxoacetate, Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate, ethyl 1-methylpyrrole-2-glyoxylate, ethyl 2-(1-methylpyrrol-2-yl)-2-oxoacetate, ethyl (1-methyl-1H-pyrrol-2-yl)(oxo)acetate
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 21898-45-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=CN1C |
| InChIKey | HZSVMMXNUWDJPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate (CAS 21898-45-3), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: ethyl 2-(1-methylpyrrol-2-yl)-2-oxoacetate.
Chemical Property Profile of Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate
Property Insights of Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate. With a topological polar surface area (TPSA) of 48.3 Ų, Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate has 0 hydrogen bond donor(s) and 3 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-methyl-alpha-oxo-1H-pyrrole-2-acetate?
The CAS number of Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate is 21898-45-3.
What is the molecular formula of Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate?
The molecular formula of Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate is C9H11NO3.
What is the molecular weight of Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate?
The molecular weight of Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate is 181.07 g/mol.
Where can I buy Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate?
You can request a quote for Ethyl 1-methyl-alpha-oxo-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-methyl-alpha-oxo-1H-pyrrole-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.