Heptane, 4-ethyl-
TL;DR: Heptane, 4-ethyl- (CAS 2216-32-2) is a chemical compound with molecular formula C9H20 and molecular weight 128.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylheptane
Also Known As: 4-ETHYLHEPTANE, Heptane, 4-ethyl-, 4-ethyl-heptane, 4-ethyl heptane, Ethylheptane, 4-
| Molecular Formula | C9H20 |
|---|---|
| Molecular Weight | 128.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.1565 |
| Heavy Atoms | 9 |
| Complexity | 42.0 |
| Boiling Point | 141.2 °C @760 [mm Hg] |
| Density | 0.7241 @25 °C |
Chemical Identifiers
| CAS Number | 2216-32-2 |
|---|---|
| SMILES | CCCC(CC)CCC |
| InChIKey | XMROPFQWHHUFFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptane, 4-ethyl- (CAS 2216-32-2), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 4-ethylheptane.
Chemical Property Profile of Heptane, 4-ethyl-
Property Insights of Heptane, 4-ethyl-
The XLogP value of 4.8 indicates that Heptane, 4-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Heptane, 4-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane, 4-ethyl- has 0 hydrogen bond donor(s) and 0 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 Heptane, 4-ethyl-?
The CAS number of Heptane, 4-ethyl- is 2216-32-2.
What is the molecular formula of Heptane, 4-ethyl-?
The molecular formula of Heptane, 4-ethyl- is C9H20.
What is the molecular weight of Heptane, 4-ethyl-?
The molecular weight of Heptane, 4-ethyl- is 128.16 g/mol.
Where can I buy Heptane, 4-ethyl-?
You can request a quote for Heptane, 4-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane, 4-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Heptane, 4-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.