Hexyl alpha-hydroxybenzeneacetate
TL;DR: Hexyl alpha-hydroxybenzeneacetate (CAS 5431-31-2) 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-hydroxy-2-phenylacetate
Also Known As: Hexyl mandelate, hexylmandelate, MANDELIC ACID, HEXYL ESTER, hexyl 2-hydroxy-2-phenylacetate, Hexylester kyseliny mandlove
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 5431-31-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C1=CC=CC=C1)O |
| InChIKey | WTWKQARYVVXCNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl alpha-hydroxybenzeneacetate (CAS 5431-31-2), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: hexyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Hexyl alpha-hydroxybenzeneacetate
Property Insights of Hexyl alpha-hydroxybenzeneacetate
The XLogP value of 3.5 indicates that Hexyl alpha-hydroxybenzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Hexyl alpha-hydroxybenzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl alpha-hydroxybenzeneacetate has 1 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 alpha-hydroxybenzeneacetate?
The CAS number of Hexyl alpha-hydroxybenzeneacetate is 5431-31-2.
What is the molecular formula of Hexyl alpha-hydroxybenzeneacetate?
The molecular formula of Hexyl alpha-hydroxybenzeneacetate is C14H20O3.
What is the molecular weight of Hexyl alpha-hydroxybenzeneacetate?
The molecular weight of Hexyl alpha-hydroxybenzeneacetate is 236.14 g/mol.
Where can I buy Hexyl alpha-hydroxybenzeneacetate?
You can request a quote for Hexyl alpha-hydroxybenzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl alpha-hydroxybenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl alpha-hydroxybenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.