Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate
TL;DR: Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate (CAS 17050-67-8) is a chemical compound with molecular formula C16H28O3 and molecular weight 268.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(3-acetyl-2,2-dimethylcyclobutyl)acetate
Also Known As: NCIOpen2_004333, Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate, hexyl(3-acetyl-2,2-dimethylcyclobutyl)acetate, Hexyl (3-acetyl-2,2-dimethylcyclobutyl)acetate, hexyl 2-(3-acetyl-2,2-dimethylcyclobutyl)acetate
| Molecular Formula | C16H28O3 |
|---|---|
| Molecular Weight | 268.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 268.20386 |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 17050-67-8 |
|---|---|
| SMILES | CCCCCCOC(=O)CC1CC(C1(C)C)C(=O)C |
| InChIKey | OIAFJHAHYHANJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate (CAS 17050-67-8), with molecular formula C16H28O3 and molecular weight 268.20 g/mol. IUPAC: hexyl 2-(3-acetyl-2,2-dimethylcyclobutyl)acetate.
Chemical Property Profile of Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate
Property Insights of Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate
The XLogP value of 3.7 indicates that Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate 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 Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate?
The CAS number of Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate is 17050-67-8.
What is the molecular formula of Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate?
The molecular formula of Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate is C16H28O3.
What is the molecular weight of Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate?
The molecular weight of Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate is 268.20 g/mol.
Where can I buy Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate?
You can request a quote for Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.