(E)-2-hexen-1-yl salicylate
TL;DR: (E)-2-hexen-1-yl salicylate (CAS 68133-77-7) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-enyl 2-hydroxybenzoate
Also Known As: (E)-2-hexen-1-yl salicylate, [(E)-hex-2-enyl] 2-hydroxybenzoate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 68133-77-7 |
|---|---|
| SMILES | CCCC=CCOC(=O)C1=CC=CC=C1O |
| InChIKey | DLWPCXLFHSLSMZ-UHFFFAOYSA-N |
Product Overview
(E)-2-hexen-1-yl salicylate (CAS 68133-77-7), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: hex-2-enyl 2-hydroxybenzoate.
Chemical Property Profile of (E)-2-hexen-1-yl salicylate
Property Insights of (E)-2-hexen-1-yl salicylate
The XLogP value of 3.5 indicates that (E)-2-hexen-1-yl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (E)-2-hexen-1-yl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-hexen-1-yl salicylate 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 (E)-2-hexen-1-yl salicylate?
The CAS number of (E)-2-hexen-1-yl salicylate is 68133-77-7.
What is the molecular formula of (E)-2-hexen-1-yl salicylate?
The molecular formula of (E)-2-hexen-1-yl salicylate is C13H16O3.
What is the molecular weight of (E)-2-hexen-1-yl salicylate?
The molecular weight of (E)-2-hexen-1-yl salicylate is 220.11 g/mol.
Where can I buy (E)-2-hexen-1-yl salicylate?
You can request a quote for (E)-2-hexen-1-yl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-hexen-1-yl salicylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-hexen-1-yl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.