trans-2-Hexenyl benzoate
TL;DR: trans-2-Hexenyl benzoate (CAS 76841-70-8) 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.
hex-2-enyl benzoate
Also Known As: 2-Hexenyl benzoate, hex-2-enyl benzoate, trans-2-Hexenyl benzoate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 76841-70-8 |
|---|---|
| SMILES | CCCC=CCOC(=O)C1=CC=CC=C1 |
| InChIKey | IRWNFSMZBFIURE-UHFFFAOYSA-N |
Product Overview
trans-2-Hexenyl benzoate (CAS 76841-70-8), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: hex-2-enyl benzoate.
Chemical Property Profile of trans-2-Hexenyl benzoate
Property Insights of trans-2-Hexenyl benzoate
The XLogP value of 3.6 indicates that trans-2-Hexenyl 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, trans-2-Hexenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-Hexenyl 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 trans-2-Hexenyl benzoate?
The CAS number of trans-2-Hexenyl benzoate is 76841-70-8.
What is the molecular formula of trans-2-Hexenyl benzoate?
The molecular formula of trans-2-Hexenyl benzoate is C13H16O2.
What is the molecular weight of trans-2-Hexenyl benzoate?
The molecular weight of trans-2-Hexenyl benzoate is 204.12 g/mol.
Where can I buy trans-2-Hexenyl benzoate?
You can request a quote for trans-2-Hexenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-Hexenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Hexenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.