Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate
TL;DR: Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate (CAS 126101-08-4) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylate
Also Known As: Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate, Ethyl tetrahydro-2,5-dioxo-1H-pyrrolo(1,2-a)imidazole-7a(5H)-carboxylate, 1H-Pyrrolo(1,2-a)imidazole-7a(5H)-carboxylic acid, tetrahydro-2,5-dioxo-, ethyl ester, ethyl 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylate, Ethyl tetrahydro-2,5-dioxo-1H-pyrrolo(1,2-a)imidazole-7a(5H)-carboxyla te
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | -1.002 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 341.00406 |
Chemical Identifiers
| CAS Number | 126101-08-4 |
|---|---|
| SMILES | CCOC(=O)C12CCC(=O)N1CC(=O)N2 |
Product Overview
Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate (CAS 126101-08-4), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: ethyl 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylate.
Chemical Property Profile of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate
Property Insights of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate
The XLogP value of -1.002 indicates that Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate. Following Lipinski's Rule of Five, Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate has 1 hydrogen bond donor(s) and 4 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 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate?
The CAS number of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate is 126101-08-4.
What is the molecular formula of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate?
The molecular formula of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate is C9H12N2O4.
What is the molecular weight of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate?
The molecular weight of Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate is 212.08 g/mol.
Where can I buy Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate?
You can request a quote for Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,5-dioxohexahydro-1H-pyrrolo(1,2-a)imidazole-7a-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.