1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone
TL;DR: 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone (CAS 721-79-9) 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.
1-(5-hexyl-2,4-dihydroxyphenyl)ethanone
Also Known As: 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone, 4-Acetyl-6-hexylresorcinol, 1-(5-hexyl-2,4-dihydroxyphenyl)ethan-1-one, 2,4-Dihydroxy-5-n-hexylacetophenon, 1-acetyl-5-hexyl-2,4-dihydroxybenzene
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 721-79-9 |
|---|---|
| SMILES | CCCCCCC1=CC(=C(C=C1O)O)C(=O)C |
| InChIKey | VHAHDEBHRBHPIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone (CAS 721-79-9), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: 1-(5-hexyl-2,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone
Property Insights of 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone
The XLogP value of 4.4 indicates that 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone has 2 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 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone?
The CAS number of 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone is 721-79-9.
What is the molecular formula of 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone?
The molecular formula of 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone is C14H20O3.
What is the molecular weight of 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone?
The molecular weight of 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone is 236.14 g/mol.
Where can I buy 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone?
You can request a quote for 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.