戊酸乙酯
TL;DR: 戊酸乙酯 (CAS 539-82-2) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊酸乙酯
ethyl pentanoate
Also Known As: Ethyl pentanoate, ETHYL VALERATE, Ethyl n-valerate, Ethylvalerate, Pentanoic acid, ethyl ester
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Melting Point | -91.2 °C |
| Boiling Point | 144.00 to 145.00 °C. @ 760.00 mm Hg |
| Density | 0.870-0.875 |
| Solubility | 2.21 mg/mL at 25 °C |
| Refractive Index | 1.399-1.404 |
Chemical Identifiers
| CAS Number | 539-82-2 |
|---|---|
| SMILES | CCCCC(=O)OCC |
| InChIKey | ICMAFTSLXCXHRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊酸乙酯 (CAS 539-82-2), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: ethyl pentanoate.
Chemical Property Profile of 戊酸乙酯
Property Insights of 戊酸乙酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 戊酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 戊酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊酸乙酯 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 戊酸乙酯?
The CAS number of 戊酸乙酯 is 539-82-2.
What is the molecular formula of 戊酸乙酯?
The molecular formula of 戊酸乙酯 is C7H14O2.
What is the molecular weight of 戊酸乙酯?
The molecular weight of 戊酸乙酯 is 130.10 g/mol.
Where can I buy 戊酸乙酯?
You can request a quote for 戊酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 戊酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.