4-Benzoyloxy-2-butenyl hydrocinnamate
TL;DR: 4-Benzoyloxy-2-butenyl hydrocinnamate (CAS 59863-57-9) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-phenylpropanoyloxy)but-2-enyl benzoate
Also Known As: 4-Benzoyloxy-2-butenyl hydrocinnamate, 4-(3-phenylpropanoyloxy)but-2-enyl benzoate, [(E)-4-(3-phenylpropanoyloxy)but-2-enyl] benzoate
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 59863-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)OCC=CCOC(=O)C2=CC=CC=C2 |
| InChIKey | UTAQTHGOLHFTKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzoyloxy-2-butenyl hydrocinnamate (CAS 59863-57-9), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: 4-(3-phenylpropanoyloxy)but-2-enyl benzoate.
Chemical Property Profile of 4-Benzoyloxy-2-butenyl hydrocinnamate
Property Insights of 4-Benzoyloxy-2-butenyl hydrocinnamate
The XLogP value of 3.9 indicates that 4-Benzoyloxy-2-butenyl hydrocinnamate 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-Benzoyloxy-2-butenyl hydrocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzoyloxy-2-butenyl hydrocinnamate has 0 hydrogen bond donor(s) and 4 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 4-Benzoyloxy-2-butenyl hydrocinnamate?
The CAS number of 4-Benzoyloxy-2-butenyl hydrocinnamate is 59863-57-9.
What is the molecular formula of 4-Benzoyloxy-2-butenyl hydrocinnamate?
The molecular formula of 4-Benzoyloxy-2-butenyl hydrocinnamate is C20H20O4.
What is the molecular weight of 4-Benzoyloxy-2-butenyl hydrocinnamate?
The molecular weight of 4-Benzoyloxy-2-butenyl hydrocinnamate is 324.14 g/mol.
Where can I buy 4-Benzoyloxy-2-butenyl hydrocinnamate?
You can request a quote for 4-Benzoyloxy-2-butenyl hydrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyloxy-2-butenyl hydrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyloxy-2-butenyl hydrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.