Octanoic acid, 4-hydroxyphenyl ester
TL;DR: Octanoic acid, 4-hydroxyphenyl ester (CAS 63133-91-5) 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.
(4-hydroxyphenyl) octanoate
Also Known As: 4-Hydroxyphenyl octanoate, 4-(Octanoyloxy)phenol, (4-hydroxyphenyl) octanoate, Octanoic acid, 4-hydroxyphenyl ester, Hydroquinone monocaprylate
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.3 |
| 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 | 208.0 |
Chemical Identifiers
| CAS Number | 63133-91-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)O |
| InChIKey | LFSWQJOBXQBXAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanoic acid, 4-hydroxyphenyl ester (CAS 63133-91-5), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: (4-hydroxyphenyl) octanoate.
Chemical Property Profile of Octanoic acid, 4-hydroxyphenyl ester
Property Insights of Octanoic acid, 4-hydroxyphenyl ester
The XLogP value of 4.3 indicates that Octanoic acid, 4-hydroxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Octanoic acid, 4-hydroxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 4-hydroxyphenyl ester 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 Octanoic acid, 4-hydroxyphenyl ester?
The CAS number of Octanoic acid, 4-hydroxyphenyl ester is 63133-91-5.
What is the molecular formula of Octanoic acid, 4-hydroxyphenyl ester?
The molecular formula of Octanoic acid, 4-hydroxyphenyl ester is C14H20O3.
What is the molecular weight of Octanoic acid, 4-hydroxyphenyl ester?
The molecular weight of Octanoic acid, 4-hydroxyphenyl ester is 236.14 g/mol.
Where can I buy Octanoic acid, 4-hydroxyphenyl ester?
You can request a quote for Octanoic acid, 4-hydroxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 4-hydroxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 4-hydroxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.