cis-3-Hexenyl salicylate
TL;DR: cis-3-Hexenyl salicylate (CAS 654050-74-5) 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.
[(E)-hex-3-enyl] 2-hydroxybenzoate
Also Known As: cis-3-Hexenyl salicylate, 3-Hexenyl salicylate, (Z)-3-Hexenyl salicylate, -3-hexenylsalicylate, 3-Hexenyl salicylic acid
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.9053 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 369.19537 |
Chemical Identifiers
| CAS Number | 654050-74-5 |
|---|---|
| SMILES | CC/C=C/CCOC(=O)C1=CC=CC=C1O |
Product Overview
cis-3-Hexenyl salicylate (CAS 654050-74-5), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: [(E)-hex-3-enyl] 2-hydroxybenzoate.
Chemical Property Profile of cis-3-Hexenyl salicylate
Property Insights of cis-3-Hexenyl salicylate
The XLogP value of 2.9053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-3-Hexenyl salicylate. With a topological polar surface area (TPSA) of 46.53 Ų, cis-3-Hexenyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-3-Hexenyl 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 cis-3-Hexenyl salicylate?
The CAS number of cis-3-Hexenyl salicylate is 654050-74-5.
What is the molecular formula of cis-3-Hexenyl salicylate?
The molecular formula of cis-3-Hexenyl salicylate is C13H16O3.
What is the molecular weight of cis-3-Hexenyl salicylate?
The molecular weight of cis-3-Hexenyl salicylate is 220.11 g/mol.
Where can I buy cis-3-Hexenyl salicylate?
You can request a quote for cis-3-Hexenyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3-Hexenyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for cis-3-Hexenyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.