2-Ethylhexyl 7-methyloctanoate
TL;DR: 2-Ethylhexyl 7-methyloctanoate (CAS 92554-19-3) is a chemical compound with molecular formula C17H34O2 and molecular weight 270.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 7-methyloctanoate
Also Known As: 2-Ethylhexyl isononanoate, 2-ethylhexyl 7-methyloctanoate, Octyl isononanoate, Dragoxat 89, 2- ethylhexyl isononanoate
| Molecular Formula | C17H34O2 |
|---|---|
| Molecular Weight | 270.26 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 270.2559 |
| Heavy Atoms | 19 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 92554-19-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCCCCC(C)C |
| InChIKey | NAGVKZOTMXGCCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl 7-methyloctanoate (CAS 92554-19-3), with molecular formula C17H34O2 and molecular weight 270.26 g/mol. IUPAC: 2-ethylhexyl 7-methyloctanoate.
Chemical Property Profile of 2-Ethylhexyl 7-methyloctanoate
Property Insights of 2-Ethylhexyl 7-methyloctanoate
The XLogP value of 6.5 indicates that 2-Ethylhexyl 7-methyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylhexyl 7-methyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 7-methyloctanoate 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 2-Ethylhexyl 7-methyloctanoate?
The CAS number of 2-Ethylhexyl 7-methyloctanoate is 92554-19-3.
What is the molecular formula of 2-Ethylhexyl 7-methyloctanoate?
The molecular formula of 2-Ethylhexyl 7-methyloctanoate is C17H34O2.
What is the molecular weight of 2-Ethylhexyl 7-methyloctanoate?
The molecular weight of 2-Ethylhexyl 7-methyloctanoate is 270.26 g/mol.
Where can I buy 2-Ethylhexyl 7-methyloctanoate?
You can request a quote for 2-Ethylhexyl 7-methyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 7-methyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 7-methyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.