4-Dodecanoyloxybut-2-enyl benzoate
TL;DR: 4-Dodecanoyloxybut-2-enyl benzoate (CAS 59863-54-6) is a chemical compound with molecular formula C23H34O4 and molecular weight 374.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dodecanoyloxybut-2-enyl benzoate
Also Known As: 4-dodecanoyloxybut-2-enyl benzoate, [(E)-4-dodecanoyloxybut-2-enyl] benzoate
| Molecular Formula | C23H34O4 |
|---|---|
| Molecular Weight | 374.25 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 374.2457 |
| Heavy Atoms | 27 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 59863-54-6 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC=CCOC(=O)C1=CC=CC=C1 |
| InChIKey | YODDRCLEGMPMSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Dodecanoyloxybut-2-enyl benzoate (CAS 59863-54-6), with molecular formula C23H34O4 and molecular weight 374.25 g/mol. IUPAC: 4-dodecanoyloxybut-2-enyl benzoate.
Chemical Property Profile of 4-Dodecanoyloxybut-2-enyl benzoate
Property Insights of 4-Dodecanoyloxybut-2-enyl benzoate
The XLogP value of 7.1 indicates that 4-Dodecanoyloxybut-2-enyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Dodecanoyloxybut-2-enyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Dodecanoyloxybut-2-enyl benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Dodecanoyloxybut-2-enyl benzoate?
The CAS number of 4-Dodecanoyloxybut-2-enyl benzoate is 59863-54-6.
What is the molecular formula of 4-Dodecanoyloxybut-2-enyl benzoate?
The molecular formula of 4-Dodecanoyloxybut-2-enyl benzoate is C23H34O4.
What is the molecular weight of 4-Dodecanoyloxybut-2-enyl benzoate?
The molecular weight of 4-Dodecanoyloxybut-2-enyl benzoate is 374.25 g/mol.
Where can I buy 4-Dodecanoyloxybut-2-enyl benzoate?
You can request a quote for 4-Dodecanoyloxybut-2-enyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dodecanoyloxybut-2-enyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Dodecanoyloxybut-2-enyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.