Octanoic acid, 1-naphthyl ester
TL;DR: Octanoic acid, 1-naphthyl ester (CAS 4483-62-9) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl octanoate
Also Known As: 1-Naphthyl octanoate, Octanoic acid, 1-naphthyl ester, naphthalen-1-yl octanoate, naphthyl octanoate, alpha-naphthyl caprylate
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 4483-62-9 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=CC2=CC=CC=C21 |
| InChIKey | SUAOWWVNMRJABO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanoic acid, 1-naphthyl ester (CAS 4483-62-9), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: naphthalen-1-yl octanoate.
Chemical Property Profile of Octanoic acid, 1-naphthyl ester
Property Insights of Octanoic acid, 1-naphthyl ester
The XLogP value of 5.8 indicates that Octanoic acid, 1-naphthyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octanoic acid, 1-naphthyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 1-naphthyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octanoic acid, 1-naphthyl ester?
The CAS number of Octanoic acid, 1-naphthyl ester is 4483-62-9.
What is the molecular formula of Octanoic acid, 1-naphthyl ester?
The molecular formula of Octanoic acid, 1-naphthyl ester is C18H22O2.
What is the molecular weight of Octanoic acid, 1-naphthyl ester?
The molecular weight of Octanoic acid, 1-naphthyl ester is 270.16 g/mol.
Where can I buy Octanoic acid, 1-naphthyl ester?
You can request a quote for Octanoic acid, 1-naphthyl 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, 1-naphthyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 1-naphthyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.