Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
TL;DR: Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate (CAS 5249-36-5) is a chemical compound with molecular formula C17H26O3 and molecular weight 278.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
Also Known As: 4-Isopropyl-mandelsaeure-hexylester, hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate, Hexyl hydroxy[4-(propan-2-yl)phenyl]acetate, Benzeneacetic acid, a-hydroxy-4-(1-methylethyl)-,hexyl ester
| Molecular Formula | C17H26O3 |
|---|---|
| Molecular Weight | 278.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 278.1882 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5249-36-5 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C1=CC=C(C=C1)C(C)C)O |
| InChIKey | PFSBZBOGUYWBHZ-UHFFFAOYSA-N |
Product Overview
Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate (CAS 5249-36-5), with molecular formula C17H26O3 and molecular weight 278.19 g/mol. IUPAC: hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate.
Chemical Property Profile of Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
Property Insights of Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
The XLogP value of 4.6 indicates that Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate 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 2-hydroxy-2-(4-propan-2-ylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate 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 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The CAS number of Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is 5249-36-5.
What is the molecular formula of Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The molecular formula of Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is C17H26O3.
What is the molecular weight of Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The molecular weight of Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate is 278.19 g/mol.
Where can I buy Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
You can request a quote for Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.