Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester
TL;DR: Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester (CAS 4213-29-0) is a chemical compound with molecular formula C14H24O3 and molecular weight 240.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hexyl-3-oxocyclopentane-1-carboxylate
Also Known As: ethyl 2-hexyl-3-oxocyclopentanecarboxylate, Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester, ethyl 2-hexyl-3-oxocyclopentane-1-carboxylate, Ethyl 2-hexyl-3-oxocyclopentanecarboxylate, ethyl 2-n-hexyl-3-oxo-cyclopentanecarboxylate
| Molecular Formula | C14H24O3 |
|---|---|
| Molecular Weight | 240.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 240.17255 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 4213-29-0 |
|---|---|
| SMILES | CCCCCCC1C(CCC1=O)C(=O)OCC |
| InChIKey | INTQBOZOCPYNQM-UHFFFAOYSA-N |
Product Overview
Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester (CAS 4213-29-0), with molecular formula C14H24O3 and molecular weight 240.17 g/mol. IUPAC: ethyl 2-hexyl-3-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester
Property Insights of Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester
The XLogP value of 3.4 indicates that Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester 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 Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester?
The CAS number of Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester is 4213-29-0.
What is the molecular formula of Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester?
The molecular formula of Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester is C14H24O3.
What is the molecular weight of Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester?
The molecular weight of Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester is 240.17 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester?
You can request a quote for Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.