Isoprenyl acetate
TL;DR: Isoprenyl acetate (CAS 5205-07-2) 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.
3-methylbut-3-enyl acetate
Also Known As: 3-Methyl-3-butenyl acetate, isoprenyl acetate, 3-methylbut-3-enyl acetate, isopentenyl acetate, 3-methyl-3-buten-1-yl acetate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
| Density | 0.904-0.914 |
| Solubility | insoluble in water; soluble in organic solvents |
| Refractive Index | 1.418-1.426 |
Chemical Identifiers
| CAS Number | 5205-07-2 |
|---|---|
| SMILES | CC(=C)CCOC(=O)C |
| InChIKey | OCUAPVNNQFAQSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoprenyl acetate (CAS 5205-07-2), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 3-methylbut-3-enyl acetate.
Chemical Property Profile of Isoprenyl acetate
Property Insights of Isoprenyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoprenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isoprenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoprenyl 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 Isoprenyl acetate?
The CAS number of Isoprenyl acetate is 5205-07-2.
What is the molecular formula of Isoprenyl acetate?
The molecular formula of Isoprenyl acetate is C7H12O2.
What is the molecular weight of Isoprenyl acetate?
The molecular weight of Isoprenyl acetate is 128.08 g/mol.
Where can I buy Isoprenyl acetate?
You can request a quote for Isoprenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoprenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Isoprenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.