庚酸戊酯
TL;DR: 庚酸戊酯 (CAS 7493-82-5) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚酸戊酯
pentyl heptanoate
Also Known As: Pentyl heptanoate, AMYL HEPTANOATE, Amyl heptylate, Amyl oenanthate, Amyl heptoate
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
| Melting Point | -49.5 °C |
| Density | 0.859-0.863 |
| Solubility | soluble in most organic solvents |
| Refractive Index | 1.422-1.426 |
Chemical Identifiers
| CAS Number | 7493-82-5 |
|---|---|
| SMILES | CCCCCCC(=O)OCCCCC |
| InChIKey | PSQMUBJRXIGVIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚酸戊酯 (CAS 7493-82-5), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: pentyl heptanoate.
Chemical Property Profile of 庚酸戊酯
Property Insights of 庚酸戊酯
The XLogP value of 4.4 indicates that 庚酸戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 庚酸戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚酸戊酯 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 庚酸戊酯?
The CAS number of 庚酸戊酯 is 7493-82-5.
What is the molecular formula of 庚酸戊酯?
The molecular formula of 庚酸戊酯 is C12H24O2.
What is the molecular weight of 庚酸戊酯?
The molecular weight of 庚酸戊酯 is 200.18 g/mol.
Where can I buy 庚酸戊酯?
You can request a quote for 庚酸戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚酸戊酯?
Yes, KEHONG BIO provides custom synthesis services for 庚酸戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.