Hex-3-enyl benzoate
TL;DR: Hex-3-enyl benzoate (CAS 75019-52-2) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-hex-3-enyl] benzoate
Also Known As: Hex-3-enyl benzoate, cis-3-Hexenyl benzoate, 3-hexenyl benzoate, 3-hexenyl-benzoate, hex-3-enylbenzoate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.1997 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 314.56766 |
Chemical Identifiers
| CAS Number | 75019-52-2 |
|---|---|
| SMILES | CC/C=C/CCOC(=O)C1=CC=CC=C1 |
Product Overview
Hex-3-enyl benzoate (CAS 75019-52-2), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: [(E)-hex-3-enyl] benzoate.
Chemical Property Profile of Hex-3-enyl benzoate
Property Insights of Hex-3-enyl benzoate
The XLogP value of 3.1997 indicates that Hex-3-enyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hex-3-enyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-enyl benzoate has 0 hydrogen bond donor(s) and 2 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 Hex-3-enyl benzoate?
The CAS number of Hex-3-enyl benzoate is 75019-52-2.
What is the molecular formula of Hex-3-enyl benzoate?
The molecular formula of Hex-3-enyl benzoate is C13H16O2.
What is the molecular weight of Hex-3-enyl benzoate?
The molecular weight of Hex-3-enyl benzoate is 204.12 g/mol.
Where can I buy Hex-3-enyl benzoate?
You can request a quote for Hex-3-enyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-3-enyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-enyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.