Methyl 2-hexyl-3-oxocyclopentaneacetate
TL;DR: Methyl 2-hexyl-3-oxocyclopentaneacetate (CAS 29912-78-5) 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.
methyl 2-(2-hexyl-3-oxocyclopentyl)acetate
Also Known As: Methyl 2-hexyl-3-oxocyclopentaneacetate, methyl 2-(2-hexyl-3-oxocyclopentyl)acetate, methyl(2-hexyl-3-oxocyclopentyl)acetate, methyl (2-hexyl-3-oxocyclopentyl)acetate, 2-Hexyl-3-oxocyclopentaneacetic acid methyl ester
| Molecular Formula | C14H24O3 |
|---|---|
| Molecular Weight | 240.17 g/mol |
| LogP | 3.2 |
| 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 | 29912-78-5 |
|---|---|
| SMILES | CCCCCCC1C(CCC1=O)CC(=O)OC |
| InChIKey | GLASPHLTTAHWPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hexyl-3-oxocyclopentaneacetate (CAS 29912-78-5), with molecular formula C14H24O3 and molecular weight 240.17 g/mol. IUPAC: methyl 2-(2-hexyl-3-oxocyclopentyl)acetate.
Chemical Property Profile of Methyl 2-hexyl-3-oxocyclopentaneacetate
Property Insights of Methyl 2-hexyl-3-oxocyclopentaneacetate
The XLogP value of 3.2 indicates that Methyl 2-hexyl-3-oxocyclopentaneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-hexyl-3-oxocyclopentaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hexyl-3-oxocyclopentaneacetate 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 Methyl 2-hexyl-3-oxocyclopentaneacetate?
The CAS number of Methyl 2-hexyl-3-oxocyclopentaneacetate is 29912-78-5.
What is the molecular formula of Methyl 2-hexyl-3-oxocyclopentaneacetate?
The molecular formula of Methyl 2-hexyl-3-oxocyclopentaneacetate is C14H24O3.
What is the molecular weight of Methyl 2-hexyl-3-oxocyclopentaneacetate?
The molecular weight of Methyl 2-hexyl-3-oxocyclopentaneacetate is 240.17 g/mol.
Where can I buy Methyl 2-hexyl-3-oxocyclopentaneacetate?
You can request a quote for Methyl 2-hexyl-3-oxocyclopentaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hexyl-3-oxocyclopentaneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hexyl-3-oxocyclopentaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.