Heptyl 2-ethylhexanoate
TL;DR: Heptyl 2-ethylhexanoate (CAS 112445-68-8) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-ethylhexanoate
Also Known As: Heptyl 2-ethylhexanoate, Heptyl 2-ethylhexanoate #, Hexanoic acid, 2-ethyl-, heptyl ester, 2-Ethyl-capronsaeure-heptylester, RefChem:347301
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 112445-68-8 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(CC)CCCC |
| InChIKey | ZEYQXRVECWKGOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl 2-ethylhexanoate (CAS 112445-68-8), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: heptyl 2-ethylhexanoate.
Chemical Property Profile of Heptyl 2-ethylhexanoate
Property Insights of Heptyl 2-ethylhexanoate
The XLogP value of 5.8 indicates that Heptyl 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 2-ethylhexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptyl 2-ethylhexanoate?
The CAS number of Heptyl 2-ethylhexanoate is 112445-68-8.
What is the molecular formula of Heptyl 2-ethylhexanoate?
The molecular formula of Heptyl 2-ethylhexanoate is C15H30O2.
What is the molecular weight of Heptyl 2-ethylhexanoate?
The molecular weight of Heptyl 2-ethylhexanoate is 242.22 g/mol.
Where can I buy Heptyl 2-ethylhexanoate?
You can request a quote for Heptyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.