2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate
TL;DR: 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate (CAS 4221-80-1) is a chemical compound with molecular formula C29H42O3 and molecular weight 438.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate
Also Known As: 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate, Sumisorb 400, DBHDBPB, Tinuvin 120, UV Absorber UV120
| Molecular Formula | C29H42O3 |
|---|---|
| Molecular Weight | 438.31 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.3134 |
| Heavy Atoms | 32 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 4221-80-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C |
| InChIKey | KJYSXRBJOSZLEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate (CAS 4221-80-1), with molecular formula C29H42O3 and molecular weight 438.31 g/mol. IUPAC: (2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate.
Chemical Property Profile of 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate
Property Insights of 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate
The XLogP value of 9.7 indicates that 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate 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 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate?
The CAS number of 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate is 4221-80-1.
What is the molecular formula of 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate?
The molecular formula of 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate is C29H42O3.
What is the molecular weight of 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate?
The molecular weight of 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate is 438.31 g/mol.
Where can I buy 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate?
You can request a quote for 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Di-tert-butylphenyl 3',5'-di-tert-butyl-4'-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.