tert-Amyl peroxy-2-ethylhexanoate
TL;DR: tert-Amyl peroxy-2-ethylhexanoate (CAS 686-31-7) is a chemical compound with molecular formula C13H26O3 and molecular weight 230.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutan-2-yl 2-ethylhexaneperoxoate
Also Known As: tert-Amyl peroxy-2-ethylhexanoate, t-Amylperoxy 2-ethylhexanoate, 2-methylbutan-2-yl 2-ethylhexaneperoxoate, LUPERSOL TA 75, LUPERSOL 575
| Molecular Formula | C13H26O3 |
|---|---|
| Molecular Weight | 230.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.1882 |
| Heavy Atoms | 16 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 686-31-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OOC(C)(C)CC |
| InChIKey | IFXDUNDBQDXPQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Amyl peroxy-2-ethylhexanoate (CAS 686-31-7), with molecular formula C13H26O3 and molecular weight 230.19 g/mol. IUPAC: 2-methylbutan-2-yl 2-ethylhexaneperoxoate.
Chemical Property Profile of tert-Amyl peroxy-2-ethylhexanoate
Property Insights of tert-Amyl peroxy-2-ethylhexanoate
The XLogP value of 4.5 indicates that tert-Amyl peroxy-2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Amyl peroxy-2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Amyl peroxy-2-ethylhexanoate has 0 hydrogen bond donor(s) and 3 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 tert-Amyl peroxy-2-ethylhexanoate?
The CAS number of tert-Amyl peroxy-2-ethylhexanoate is 686-31-7.
What is the molecular formula of tert-Amyl peroxy-2-ethylhexanoate?
The molecular formula of tert-Amyl peroxy-2-ethylhexanoate is C13H26O3.
What is the molecular weight of tert-Amyl peroxy-2-ethylhexanoate?
The molecular weight of tert-Amyl peroxy-2-ethylhexanoate is 230.19 g/mol.
Where can I buy tert-Amyl peroxy-2-ethylhexanoate?
You can request a quote for tert-Amyl peroxy-2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Amyl peroxy-2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Amyl peroxy-2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.