4-Hexanoylresorcinol
TL;DR: 4-Hexanoylresorcinol (CAS 3144-54-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxyphenyl)hexan-1-one
Also Known As: 4-Hexanoylresorcinol, 1-(2,4-Dihydroxyphenyl)hexan-1-one, 2',4'-Dihydroxyhexanophenone, 4-caproylresorcinol, zlchem 831
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 3144-54-5 |
|---|---|
| SMILES | CCCCCC(=O)C1=C(C=C(C=C1)O)O |
| InChIKey | SKUFHZAEFGZSQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexanoylresorcinol (CAS 3144-54-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 1-(2,4-dihydroxyphenyl)hexan-1-one.
Chemical Property Profile of 4-Hexanoylresorcinol
Property Insights of 4-Hexanoylresorcinol
The XLogP value of 3.4 indicates that 4-Hexanoylresorcinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hexanoylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexanoylresorcinol 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 4-Hexanoylresorcinol?
The CAS number of 4-Hexanoylresorcinol is 3144-54-5.
What is the molecular formula of 4-Hexanoylresorcinol?
The molecular formula of 4-Hexanoylresorcinol is C12H16O3.
What is the molecular weight of 4-Hexanoylresorcinol?
The molecular weight of 4-Hexanoylresorcinol is 208.11 g/mol.
Where can I buy 4-Hexanoylresorcinol?
You can request a quote for 4-Hexanoylresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexanoylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexanoylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.