Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate
TL;DR: Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate (CAS 4189-20-2) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate
Also Known As: Pyrrole der., ethyl 2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate, 2-Methyl-3-carbethoxy-5-pyrrolinone, 2-methyl-3-carboethoxy-5-pyrrolinone
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 4189-20-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)C1)C |
| InChIKey | NVNAIVPPUAEZEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate (CAS 4189-20-2), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate.
Chemical Property Profile of Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate
Property Insights of Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate has 1 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 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate?
The CAS number of Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate is 4189-20-2.
What is the molecular formula of Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate?
The molecular formula of Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate is C8H11NO3.
What is the molecular weight of Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate?
The molecular weight of Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate is 169.07 g/mol.
Where can I buy Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate?
You can request a quote for Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.