Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
TL;DR: Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate (CAS 13417-12-4) is a chemical compound with molecular formula C25H42O3 and molecular weight 390.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Also Known As: Antioxidant 1135, Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate, Octyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate, Octyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate, O818
| Molecular Formula | C25H42O3 |
|---|---|
| Molecular Weight | 390.31 g/mol |
| LogP | 6.8235 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 390.3134 |
| Heavy Atoms | 28 |
| Complexity | 582.65576 |
Chemical Identifiers
| CAS Number | 13417-12-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Product Overview
Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate (CAS 13417-12-4), with molecular formula C25H42O3 and molecular weight 390.31 g/mol. IUPAC: octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
Chemical Property Profile of Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Property Insights of Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
The XLogP value of 6.8235 indicates that Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?
The CAS number of Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate is 13417-12-4.
What is the molecular formula of Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?
The molecular formula of Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate is C25H42O3.
What is the molecular weight of Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?
The molecular weight of Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate is 390.31 g/mol.
Where can I buy Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?
You can request a quote for Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Octyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.