Ethyl 6-(2-oxocyclopentyl)hexanoate
TL;DR: Ethyl 6-(2-oxocyclopentyl)hexanoate (CAS 63135-03-5) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-oxocyclopentyl)hexanoate
Also Known As: ethyl 6-(2-oxocyclopentyl)hexanoate, Ethyl-6-(2-oxocyclopentyl)hexanoate, Ethyl6-(2-oxocyclopentyl)hexanoate, Methyl4-(bromomethyl)-2-methoxybenzoate, Cyclopentanehexanoicacid, 2-oxo-, ethyl ester
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.8692 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 235.3322 |
Chemical Identifiers
| CAS Number | 63135-03-5 |
|---|---|
| SMILES | CCOC(=O)CCCCCC1CCCC1=O |
Product Overview
Ethyl 6-(2-oxocyclopentyl)hexanoate (CAS 63135-03-5), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: ethyl 6-(2-oxocyclopentyl)hexanoate.
Chemical Property Profile of Ethyl 6-(2-oxocyclopentyl)hexanoate
Property Insights of Ethyl 6-(2-oxocyclopentyl)hexanoate
The XLogP value of 2.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(2-oxocyclopentyl)hexanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 6-(2-oxocyclopentyl)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-(2-oxocyclopentyl)hexanoate 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 6-(2-oxocyclopentyl)hexanoate?
The CAS number of Ethyl 6-(2-oxocyclopentyl)hexanoate is 63135-03-5.
What is the molecular formula of Ethyl 6-(2-oxocyclopentyl)hexanoate?
The molecular formula of Ethyl 6-(2-oxocyclopentyl)hexanoate is C13H22O3.
What is the molecular weight of Ethyl 6-(2-oxocyclopentyl)hexanoate?
The molecular weight of Ethyl 6-(2-oxocyclopentyl)hexanoate is 226.16 g/mol.
Where can I buy Ethyl 6-(2-oxocyclopentyl)hexanoate?
You can request a quote for Ethyl 6-(2-oxocyclopentyl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(2-oxocyclopentyl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(2-oxocyclopentyl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.