Hexyl anthranilate
TL;DR: Hexyl anthranilate (CAS 18189-05-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-aminobenzoate
Also Known As: Hexyl 2-aminobenzoate, Hexyl anthranilate, n-Hexyl anthranilate, n-Hexyl o-aminobenzoate, Anthranilic acid, hexyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 18189-05-4 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1N |
| InChIKey | YMQOKTHPONOAKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl anthranilate (CAS 18189-05-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: hexyl 2-aminobenzoate.
Chemical Property Profile of Hexyl anthranilate
Property Insights of Hexyl anthranilate
The XLogP value of 4.5 indicates that Hexyl anthranilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Hexyl anthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl anthranilate 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 Hexyl anthranilate?
The CAS number of Hexyl anthranilate is 18189-05-4.
What is the molecular formula of Hexyl anthranilate?
The molecular formula of Hexyl anthranilate is C13H19NO2.
What is the molecular weight of Hexyl anthranilate?
The molecular weight of Hexyl anthranilate is 221.14 g/mol.
Where can I buy Hexyl anthranilate?
You can request a quote for Hexyl anthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl anthranilate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl anthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.