己酸烯丙酯
TL;DR: 己酸烯丙酯 (CAS 123-68-2) 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.
己酸烯丙酯
prop-2-enyl hexanoate
Also Known As: Allyl hexanoate, Allyl caproate, 2-Propenyl n-hexanoate, allylhexanoate, 2-PROPENYL HEXANOATE
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
| Boiling Point | 185.00 °C. @ 760.00 mm Hg |
| Density | 0.884-0.890 |
| Solubility | Insoluble in water and in propylene glycol, soluble in ethanol, fixed and organic oils, and soluble in organic solvents |
| Refractive Index | 1.422-1.426 |
Chemical Identifiers
| CAS Number | 123-68-2 |
|---|---|
| SMILES | CCCCCC(=O)OCC=C |
| InChIKey | RCSBILYQLVXLJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸烯丙酯 (CAS 123-68-2), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: prop-2-enyl hexanoate.
Chemical Property Profile of 己酸烯丙酯
Property Insights of 己酸烯丙酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己酸烯丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 己酸烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己酸烯丙酯 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 己酸烯丙酯?
The CAS number of 己酸烯丙酯 is 123-68-2.
What is the molecular formula of 己酸烯丙酯?
The molecular formula of 己酸烯丙酯 is C9H16O2.
What is the molecular weight of 己酸烯丙酯?
The molecular weight of 己酸烯丙酯 is 156.12 g/mol.
Where can I buy 己酸烯丙酯?
You can request a quote for 己酸烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 己酸烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.