Ethyl 1-benzyl-2-oxocyclopentanecarboxylate
TL;DR: Ethyl 1-benzyl-2-oxocyclopentanecarboxylate (CAS 5136-75-4) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-2-oxocyclopentane-1-carboxylate
Also Known As: ethyl 1-benzyl-2-oxocyclopentanecarboxylate, ethyl 1-benzyl-2-oxocyclopentane-1-carboxylate, Ethyl 1-benzyl-2-oxocyclopentane carboxylate, 1-Benzyl-2-oxocyclopentanecarboxylic acid ethyl ester, 1-Benzyl-2-oxocyclopentane-1-carboxylic acid ethyl ester
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 5136-75-4 |
|---|---|
| SMILES | CCOC(=O)C1(CCCC1=O)CC2=CC=CC=C2 |
| InChIKey | IKDYNDOAHRZGKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-benzyl-2-oxocyclopentanecarboxylate (CAS 5136-75-4), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: ethyl 1-benzyl-2-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate
Property Insights of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-benzyl-2-oxocyclopentanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 1-benzyl-2-oxocyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-benzyl-2-oxocyclopentanecarboxylate 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-benzyl-2-oxocyclopentanecarboxylate?
The CAS number of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate is 5136-75-4.
What is the molecular formula of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate?
The molecular formula of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate is C15H18O3.
What is the molecular weight of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate?
The molecular weight of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate is 246.13 g/mol.
Where can I buy Ethyl 1-benzyl-2-oxocyclopentanecarboxylate?
You can request a quote for Ethyl 1-benzyl-2-oxocyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-benzyl-2-oxocyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-benzyl-2-oxocyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.