Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
TL;DR: Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate (CAS 57026-64-9) is a chemical compound with molecular formula C13H20O5 and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
Also Known As: NCI60_015951, J1.126.812I, ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate, Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate, Propanoic acid,2,2-dimethyl-,2,4-dinitrophenyl ester
| Molecular Formula | C13H20O5 |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 256.13107 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 57026-64-9 |
|---|---|
| SMILES | CCOC(=O)CCC1(CCCC1=O)C(=O)OCC |
| InChIKey | JROPNAGSHRQCNQ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate (CAS 57026-64-9), with molecular formula C13H20O5 and molecular weight 256.13 g/mol. IUPAC: ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
Property Insights of Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate has 0 hydrogen bond donor(s) and 5 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-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
The CAS number of Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate is 57026-64-9.
What is the molecular formula of Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
The molecular formula of Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate is C13H20O5.
What is the molecular weight of Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
The molecular weight of Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate is 256.13 g/mol.
Where can I buy Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
You can request a quote for Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.