Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate
TL;DR: Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate (CAS 2082-79-3) is a chemical compound with molecular formula C35H62O3 and molecular weight 530.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Also Known As: Irganox 1076, Antioxidant 1076, Tominokusu SS, Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate, Naugard 76
| Molecular Formula | C35H62O3 |
|---|---|
| Molecular Weight | 530.47 g/mol |
| LogP | 13.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Exact Mass | 530.4699 |
| Heavy Atoms | 38 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 2082-79-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| InChIKey | SSDSCDGVMJFTEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate (CAS 2082-79-3), with molecular formula C35H62O3 and molecular weight 530.47 g/mol. IUPAC: octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
Chemical Property Profile of Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate
Property Insights of Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate
The XLogP value of 13.8 indicates that Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate 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 Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate?
The CAS number of Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate is 2082-79-3.
What is the molecular formula of Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate?
The molecular formula of Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate is C35H62O3.
What is the molecular weight of Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate?
The molecular weight of Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate is 530.47 g/mol.
Where can I buy Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate?
You can request a quote for Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.