Hexyl o-anisate
TL;DR: Hexyl o-anisate (CAS 71605-88-4) 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.
hexyl 2-methoxybenzoate
Also Known As: Hexyl o-anisate, hexylo-anisate, Hexyl 2-methoxybenzoate, Hexyl 2-methoxybenzoate #, o-Methoxybenzoic acid, hexyl ester
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 71605-88-4 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1OC |
| InChIKey | UMXZQFHEWNEFNM-UHFFFAOYSA-N |
Product Overview
Hexyl o-anisate (CAS 71605-88-4), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: hexyl 2-methoxybenzoate.
Chemical Property Profile of Hexyl o-anisate
Property Insights of Hexyl o-anisate
The XLogP value of 4.4 indicates that Hexyl o-anisate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Hexyl o-anisate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl o-anisate has 0 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 o-anisate?
The CAS number of Hexyl o-anisate is 71605-88-4.
What is the molecular formula of Hexyl o-anisate?
The molecular formula of Hexyl o-anisate is C14H20O3.
What is the molecular weight of Hexyl o-anisate?
The molecular weight of Hexyl o-anisate is 236.14 g/mol.
Where can I buy Hexyl o-anisate?
You can request a quote for Hexyl o-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl o-anisate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl o-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.