p-Cresyl octanoate
TL;DR: p-Cresyl octanoate (CAS 59558-23-5) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) octanoate
Also Known As: p-Tolyl octanoate, p-Cresyl octanoate, p-Cresyl caprylate, p-Tolyl n-octanoate, 4-Methylphenyl octanoate
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 205.0 |
| Density | 0.952-0.960 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.478-1.488 |
Chemical Identifiers
| CAS Number | 59558-23-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)C |
| InChIKey | ALRYNTSLFYRKGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Cresyl octanoate (CAS 59558-23-5), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (4-methylphenyl) octanoate.
Chemical Property Profile of p-Cresyl octanoate
Property Insights of p-Cresyl octanoate
The XLogP value of 5.0 indicates that p-Cresyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, p-Cresyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cresyl octanoate has 0 hydrogen bond donor(s) and 2 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 p-Cresyl octanoate?
The CAS number of p-Cresyl octanoate is 59558-23-5.
What is the molecular formula of p-Cresyl octanoate?
The molecular formula of p-Cresyl octanoate is C15H22O2.
What is the molecular weight of p-Cresyl octanoate?
The molecular weight of p-Cresyl octanoate is 234.16 g/mol.
Where can I buy p-Cresyl octanoate?
You can request a quote for p-Cresyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cresyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for p-Cresyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.