庚酸烯丙酯
TL;DR: 庚酸烯丙酯 (CAS 142-19-8) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚酸烯丙酯
prop-2-enyl heptanoate
Also Known As: Allyl heptanoate, Allyl heptylate, Allyl enanthate, Allyl heptoate, 2-Propenyl heptanoate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
| Boiling Point | 210.00 to 212.00 °C. @ 760.00 mm Hg |
| Density | 0.880-0.885 |
| Solubility | 63 mg/L @ 20 °C (exp) |
| Refractive Index | 1.426-1.430 |
Chemical Identifiers
| CAS Number | 142-19-8 |
|---|---|
| SMILES | CCCCCCC(=O)OCC=C |
| InChIKey | SJWKGDGUQTWDRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚酸烯丙酯 (CAS 142-19-8), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: prop-2-enyl heptanoate.
Chemical Property Profile of 庚酸烯丙酯
Property Insights of 庚酸烯丙酯
The XLogP value of 3.2 indicates that 庚酸烯丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 庚酸烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚酸烯丙酯 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 庚酸烯丙酯?
The CAS number of 庚酸烯丙酯 is 142-19-8.
What is the molecular formula of 庚酸烯丙酯?
The molecular formula of 庚酸烯丙酯 is C10H18O2.
What is the molecular weight of 庚酸烯丙酯?
The molecular weight of 庚酸烯丙酯 is 170.13 g/mol.
Where can I buy 庚酸烯丙酯?
You can request a quote for 庚酸烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚酸烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 庚酸烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.