庚酸乙酯
TL;DR: 庚酸乙酯 (CAS 106-30-9) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚酸乙酯
ethyl heptanoate
Also Known As: ETHYL HEPTANOATE, Ethyl enanthate, Oenanthic ether, Ethyl heptylate, Ethyl heptoate
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
| Melting Point | -66.1 °C |
| Boiling Point | 188.00 to 189.00 °C. @ 760.00 mm Hg |
| Density | 0.867-0.872 |
| Solubility | 0.29 mg/mL |
| Refractive Index | 1.411-1.415 |
Chemical Identifiers
| CAS Number | 106-30-9 |
|---|---|
| SMILES | CCCCCCC(=O)OCC |
| InChIKey | TVQGDYNRXLTQAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚酸乙酯 (CAS 106-30-9), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: ethyl heptanoate.
Chemical Property Profile of 庚酸乙酯
Property Insights of 庚酸乙酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 庚酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 庚酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚酸乙酯 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 庚酸乙酯?
The CAS number of 庚酸乙酯 is 106-30-9.
What is the molecular formula of 庚酸乙酯?
The molecular formula of 庚酸乙酯 is C9H18O2.
What is the molecular weight of 庚酸乙酯?
The molecular weight of 庚酸乙酯 is 158.13 g/mol.
Where can I buy 庚酸乙酯?
You can request a quote for 庚酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 庚酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.