Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester
TL;DR: Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester (CAS 72845-82-0) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl (1R)-2-oxocyclopentane-1-carboxylate
Also Known As: 2-Carbohexoxycyclopentanone, Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester, n-hexyl 2-oxocyclopentane-1-carboxylate, hexyl (1R)-2-oxocyclopentane-1-carboxylate, RefChem:580984
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.4791 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 222.90712 |
Chemical Identifiers
| CAS Number | 72845-82-0 |
|---|---|
| SMILES | CCCCCCOC(=O)[C@@H]1CCCC1=O |
Product Overview
Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester (CAS 72845-82-0), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: hexyl (1R)-2-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester
Property Insights of Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester
The XLogP value of 2.4791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarboxylic acid, 2-oxo-, hexyl 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-oxo-, hexyl ester?
The CAS number of Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester is 72845-82-0.
What is the molecular formula of Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester?
The molecular formula of Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester is C12H20O3.
What is the molecular weight of Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester?
The molecular weight of Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester is 212.14 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester?
You can request a quote for Cyclopentanecarboxylic acid, 2-oxo-, hexyl 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-oxo-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 2-oxo-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.