Hexyl phenoxyacetate
TL;DR: Hexyl phenoxyacetate (CAS 6952-11-0) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-phenoxyacetate
Also Known As: hexyl phenoxyacetate, hexyl 2-phenoxyacetate, Aceticacid, 2-phenoxy-, hexyl ester
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 6952-11-0 |
|---|---|
| SMILES | CCCCCCOC(=O)COC1=CC=CC=C1 |
| InChIKey | ZDMMHHNEEAOMLL-UHFFFAOYSA-N |
Product Overview
Hexyl phenoxyacetate (CAS 6952-11-0), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: hexyl 2-phenoxyacetate.
Chemical Property Profile of Hexyl phenoxyacetate
Property Insights of Hexyl phenoxyacetate
The XLogP value of 4.1 indicates that Hexyl phenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Hexyl phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl phenoxyacetate 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 phenoxyacetate?
The CAS number of Hexyl phenoxyacetate is 6952-11-0.
What is the molecular formula of Hexyl phenoxyacetate?
The molecular formula of Hexyl phenoxyacetate is C14H20O3.
What is the molecular weight of Hexyl phenoxyacetate?
The molecular weight of Hexyl phenoxyacetate is 236.14 g/mol.
Where can I buy Hexyl phenoxyacetate?
You can request a quote for Hexyl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.