2-Hexanoyloxybenzoic acid
TL;DR: 2-Hexanoyloxybenzoic acid (CAS 5325-85-9) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexanoyloxybenzoic acid
Also Known As: 2-hexanoyloxybenzoic acid, Salicylic acid, hexanoate, 2-(hexanoyloxy)benzoic acid, Hexanoylsalicylic acid, n-hexanoylsalicylic acid
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 5325-85-9 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=CC=C1C(=O)O |
| InChIKey | HJGHIUCZKMIOLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexanoyloxybenzoic acid (CAS 5325-85-9), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-hexanoyloxybenzoic acid.
Chemical Property Profile of 2-Hexanoyloxybenzoic acid
Property Insights of 2-Hexanoyloxybenzoic acid
The XLogP value of 3.1 indicates that 2-Hexanoyloxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexanoyloxybenzoic acid. Following Lipinski's Rule of Five, 2-Hexanoyloxybenzoic acid has 1 hydrogen bond donor(s) and 4 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 2-Hexanoyloxybenzoic acid?
The CAS number of 2-Hexanoyloxybenzoic acid is 5325-85-9.
What is the molecular formula of 2-Hexanoyloxybenzoic acid?
The molecular formula of 2-Hexanoyloxybenzoic acid is C13H16O4.
What is the molecular weight of 2-Hexanoyloxybenzoic acid?
The molecular weight of 2-Hexanoyloxybenzoic acid is 236.10 g/mol.
Where can I buy 2-Hexanoyloxybenzoic acid?
You can request a quote for 2-Hexanoyloxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexanoyloxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexanoyloxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.