Ethyl alpha-propylcyclopentaneacetate
TL;DR: Ethyl alpha-propylcyclopentaneacetate (CAS 36588-75-7) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyclopentylpentanoate
Also Known As: ethyl 2-cyclopentylpentanoate, Ethyl alpha-propylcyclopentaneacetate, alpha-Propylcyclopentaneacetic acid ethyl ester, Cyclopentaneacetic acid, .alpha.-propyl-, ethyl ester, 253-119-7
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 36588-75-7 |
|---|---|
| SMILES | CCCC(C1CCCC1)C(=O)OCC |
| InChIKey | UTCCCUNOFQGWKR-UHFFFAOYSA-N |
Product Overview
Ethyl alpha-propylcyclopentaneacetate (CAS 36588-75-7), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: ethyl 2-cyclopentylpentanoate.
Chemical Property Profile of Ethyl alpha-propylcyclopentaneacetate
Property Insights of Ethyl alpha-propylcyclopentaneacetate
The XLogP value of 4.1 indicates that Ethyl alpha-propylcyclopentaneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl alpha-propylcyclopentaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-propylcyclopentaneacetate has 0 hydrogen bond donor(s) and 2 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 alpha-propylcyclopentaneacetate?
The CAS number of Ethyl alpha-propylcyclopentaneacetate is 36588-75-7.
What is the molecular formula of Ethyl alpha-propylcyclopentaneacetate?
The molecular formula of Ethyl alpha-propylcyclopentaneacetate is C12H22O2.
What is the molecular weight of Ethyl alpha-propylcyclopentaneacetate?
The molecular weight of Ethyl alpha-propylcyclopentaneacetate is 198.16 g/mol.
Where can I buy Ethyl alpha-propylcyclopentaneacetate?
You can request a quote for Ethyl alpha-propylcyclopentaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-propylcyclopentaneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-propylcyclopentaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.