Hept-4-enyl acetate
TL;DR: Hept-4-enyl acetate (CAS 77681-14-2) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-4-enyl acetate
Also Known As: acetic acid,hept-4-en-1-ol
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 77681-14-2 |
|---|---|
| SMILES | CCC=CCCCOC(=O)C |
| InChIKey | LBUNBCQWMRAHCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hept-4-enyl acetate (CAS 77681-14-2), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: hept-4-enyl acetate.
Chemical Property Profile of Hept-4-enyl acetate
Property Insights of Hept-4-enyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-4-enyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Hept-4-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-4-enyl 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 Hept-4-enyl acetate?
The CAS number of Hept-4-enyl acetate is 77681-14-2.
What is the molecular formula of Hept-4-enyl acetate?
The molecular formula of Hept-4-enyl acetate is C9H16O2.
What is the molecular weight of Hept-4-enyl acetate?
The molecular weight of Hept-4-enyl acetate is 156.12 g/mol.
Where can I buy Hept-4-enyl acetate?
You can request a quote for Hept-4-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-4-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Hept-4-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.