4-Ethyl-2-methylheptane
TL;DR: 4-Ethyl-2-methylheptane (CAS 52896-88-5) is a chemical compound with molecular formula C10H22 and molecular weight 142.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2-methylheptane
Also Known As: 4-Ethyl-2-methylheptane, Heptane, 4-ethyl-2-methyl-, 2-Methyl-4-ethylheptane, 4-Aethyl-2-methyl-heptan, J1.621.122B
| Molecular Formula | C10H22 |
|---|---|
| Molecular Weight | 142.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.17215 |
| Heavy Atoms | 10 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 52896-88-5 |
|---|---|
| SMILES | CCCC(CC)CC(C)C |
| InChIKey | OJDKRASKNKPYDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-2-methylheptane (CAS 52896-88-5), with molecular formula C10H22 and molecular weight 142.17 g/mol. IUPAC: 4-ethyl-2-methylheptane.
Chemical Property Profile of 4-Ethyl-2-methylheptane
Property Insights of 4-Ethyl-2-methylheptane
The XLogP value of 5.1 indicates that 4-Ethyl-2-methylheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Ethyl-2-methylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2-methylheptane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Ethyl-2-methylheptane?
The CAS number of 4-Ethyl-2-methylheptane is 52896-88-5.
What is the molecular formula of 4-Ethyl-2-methylheptane?
The molecular formula of 4-Ethyl-2-methylheptane is C10H22.
What is the molecular weight of 4-Ethyl-2-methylheptane?
The molecular weight of 4-Ethyl-2-methylheptane is 142.17 g/mol.
Where can I buy 4-Ethyl-2-methylheptane?
You can request a quote for 4-Ethyl-2-methylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-2-methylheptane?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-2-methylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.