4-Pentenyl acetate
TL;DR: 4-Pentenyl acetate (CAS 1576-85-8) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-4-enyl acetate
Also Known As: 4-Pentenyl acetate, 4-Penten-1-yl acetate, 5-Acetoxy-1-pentene, pent-4-enyl acetate, pent-4-en-1-yl acetate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Density | 0.906-0.916 |
| Solubility | insoluble in water; soluble in most non-polar solvents |
| Refractive Index | 1.415-1.421 |
Chemical Identifiers
| CAS Number | 1576-85-8 |
|---|---|
| SMILES | CC(=O)OCCCC=C |
| InChIKey | LVHDNIMNOMRZMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenyl acetate (CAS 1576-85-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: pent-4-enyl acetate.
Chemical Property Profile of 4-Pentenyl acetate
Property Insights of 4-Pentenyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Pentenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenyl acetate 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 4-Pentenyl acetate?
The CAS number of 4-Pentenyl acetate is 1576-85-8.
What is the molecular formula of 4-Pentenyl acetate?
The molecular formula of 4-Pentenyl acetate is C7H12O2.
What is the molecular weight of 4-Pentenyl acetate?
The molecular weight of 4-Pentenyl acetate is 128.08 g/mol.
Where can I buy 4-Pentenyl acetate?
You can request a quote for 4-Pentenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.