2-甲基戊酸乙酯
TL;DR: 2-甲基戊酸乙酯 (CAS 39255-32-8) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基戊酸乙酯
ethyl 2-methylpentanoate
Also Known As: Ethyl 2-methylpentanoate, Manzanate, Ethyl 2-methylvalerate, Melon valerate, Pentanoic acid, 2-methyl-, ethyl ester
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Density | 0.859-0.865 |
| Refractive Index | 1.401-1.404 |
Chemical Identifiers
| CAS Number | 39255-32-8 |
|---|---|
| SMILES | CCCC(C)C(=O)OCC |
| InChIKey | HZPKNSYIDSNZKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基戊酸乙酯 (CAS 39255-32-8), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: ethyl 2-methylpentanoate.
Chemical Property Profile of 2-甲基戊酸乙酯
Property Insights of 2-甲基戊酸乙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基戊酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2-甲基戊酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基戊酸乙酯 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 2-甲基戊酸乙酯?
The CAS number of 2-甲基戊酸乙酯 is 39255-32-8.
What is the molecular formula of 2-甲基戊酸乙酯?
The molecular formula of 2-甲基戊酸乙酯 is C8H16O2.
What is the molecular weight of 2-甲基戊酸乙酯?
The molecular weight of 2-甲基戊酸乙酯 is 144.12 g/mol.
Where can I buy 2-甲基戊酸乙酯?
You can request a quote for 2-甲基戊酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基戊酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基戊酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.