Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate
TL;DR: Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate (CAS 5792-78-9) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
Also Known As: ethyl 2-methyl-4,5-dioxo-1-phenylprolinate, J1.065.039I, AB00097187-01, ethyl 2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate, 5-methyl-1-phenyl-5-ethoxycarbonylpyrrolidine-2,3-dione
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 1.3142 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 525.5073 |
Chemical Identifiers
| CAS Number | 5792-78-9 |
|---|---|
| SMILES | CCOC(=O)C1(CC(=O)C(=O)N1C2=CC=CC=C2)C |
Product Overview
Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate (CAS 5792-78-9), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: ethyl 2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate
Property Insights of Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate
The XLogP value of 1.3142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate. Following Lipinski's Rule of Five, Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate has 0 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-methyl-4,5-dioxo-1-phenylprolinate?
The CAS number of Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate is 5792-78-9.
What is the molecular formula of Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate?
The molecular formula of Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate is C14H15NO4.
What is the molecular weight of Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate?
The molecular weight of Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate is 261.10 g/mol.
Where can I buy Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate?
You can request a quote for Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4,5-dioxo-1-phenylprolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.