Hexyl 2-formyl-3-hydroxybenzoate
TL;DR: Hexyl 2-formyl-3-hydroxybenzoate (CAS 131524-42-0) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl 2-formyl-3-hydroxybenzoate
Also Known As: Hexyl rhizoglyphinate, hexyl 2-formyl-3-hydroxybenzoate, Hexyl 2-formyl-3-hydroxy-benzoate, Hexyl 2-formyl-3-hydroxybenzoic acid, 2-Formyl-3-hydroxybenzoic acid hexyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12051 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.12051 Da |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
| SMILES | CCCCCCOC(=O)C1=C(C(=CC=C1)O)C=O |
| InChIKey | PIQGZGXYEQYPKR-UHFFFAOYSA-N |
Chemical Property Profile of Hexyl 2-formyl-3-hydroxybenzoate
Property Insights of Hexyl 2-formyl-3-hydroxybenzoate
The XLogP value of 3.8 indicates that Hexyl 2-formyl-3-hydroxybenzoate 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 Hexyl 2-formyl-3-hydroxybenzoate. Following Lipinski's Rule of Five, Hexyl 2-formyl-3-hydroxybenzoate 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
What is the CAS number of Hexyl 2-formyl-3-hydroxybenzoate?
The CAS number of Hexyl 2-formyl-3-hydroxybenzoate is 131524-42-0.
What is the molecular formula of Hexyl 2-formyl-3-hydroxybenzoate?
The molecular formula of Hexyl 2-formyl-3-hydroxybenzoate is C14H18O4.
What is the molecular weight of Hexyl 2-formyl-3-hydroxybenzoate?
The molecular weight of Hexyl 2-formyl-3-hydroxybenzoate is 250.12051 g/mol.
Where can I buy Hexyl 2-formyl-3-hydroxybenzoate?
You can request a quote for Hexyl 2-formyl-3-hydroxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexyl 2-formyl-3-hydroxybenzoate?
Yes, CoreyChem provides custom synthesis services for Hexyl 2-formyl-3-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.