乙基异戊基酮
TL;DR: 乙基异戊基酮 (CAS 624-42-0) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙基异戊基酮
6-methylheptan-3-one
Also Known As: 6-Methylheptan-3-one, 2-Methyl-5-heptanone, Ethyl isoamyl ketone, 6-Methyl-3-heptanone, 3-Heptanone, 6-methyl-
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| Boiling Point | 164 °C |
| Density | 0.8304 g/cu cm at 20 °C |
| Solubility | Soluble in ethanol, ether, benzene, carbon tetrachloride, organic solvents |
| Vapor Pressure | 2.75 [mmHg] |
| Refractive Index | 1.4209 at 20 °C |
Chemical Identifiers
| CAS Number | 624-42-0 |
|---|---|
| SMILES | CCC(=O)CCC(C)C |
| InChIKey | CCCIYAQYQZQDIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基异戊基酮 (CAS 624-42-0), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 6-methylheptan-3-one.
Chemical Property Profile of 乙基异戊基酮
Property Insights of 乙基异戊基酮
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙基异戊基酮. With a topological polar surface area (TPSA) of 17.1 Ų, 乙基异戊基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙基异戊基酮 has 0 hydrogen bond donor(s) and 1 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 乙基异戊基酮?
The CAS number of 乙基异戊基酮 is 624-42-0.
What is the molecular formula of 乙基异戊基酮?
The molecular formula of 乙基异戊基酮 is C8H16O.
What is the molecular weight of 乙基异戊基酮?
The molecular weight of 乙基异戊基酮 is 128.12 g/mol.
Where can I buy 乙基异戊基酮?
You can request a quote for 乙基异戊基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基异戊基酮?
Yes, KEHONG BIO provides custom synthesis services for 乙基异戊基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.