Ethyl 4-methylpentanoate
TL;DR: Ethyl 4-methylpentanoate (CAS 25415-67-2) 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.
ethyl 4-methylpentanoate
Also Known As: Ethyl 4-methylvalerate, Ethyl 4-methylpentanoate, Ethyl isocaproate, Ethyl isohexanoate, Ethyl iso-hexanoate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.1 |
| 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 | 97.0 |
| Boiling Point | 160.00 to 163.00 °C. @ 760.00 mm Hg |
| Density | 0.865 - 0.875 |
| Solubility | Practically insoluble or insoluble |
| Refractive Index | 1.402 - 1.409 |
Chemical Identifiers
| CAS Number | 25415-67-2 |
|---|---|
| SMILES | CCOC(=O)CCC(C)C |
| InChIKey | OFQRUTMGVBMTFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-methylpentanoate (CAS 25415-67-2), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: ethyl 4-methylpentanoate.
Chemical Property Profile of Ethyl 4-methylpentanoate
Property Insights of Ethyl 4-methylpentanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methylpentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methylpentanoate 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 Ethyl 4-methylpentanoate?
The CAS number of Ethyl 4-methylpentanoate is 25415-67-2.
What is the molecular formula of Ethyl 4-methylpentanoate?
The molecular formula of Ethyl 4-methylpentanoate is C8H16O2.
What is the molecular weight of Ethyl 4-methylpentanoate?
The molecular weight of Ethyl 4-methylpentanoate is 144.12 g/mol.
Where can I buy Ethyl 4-methylpentanoate?
You can request a quote for Ethyl 4-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.