4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)
TL;DR: 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) (CAS 13676-82-9) is a chemical compound with molecular formula C31H48O2 and molecular weight 452.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-yl]phenol
Also Known As: Di-tert-butylbisphenol A, BP_26, 2,2'-Bis-(methoxymethoxy)bibenzene, Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis(1,1-dimethylethyl)-, 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)
| Molecular Formula | C31H48O2 |
|---|---|
| Molecular Weight | 452.37 g/mol |
| LogP | 10.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.36542 |
| Heavy Atoms | 33 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 13676-82-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C |
| InChIKey | QHPKIUDQDCWRKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) (CAS 13676-82-9), with molecular formula C31H48O2 and molecular weight 452.37 g/mol. IUPAC: 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-yl]phenol.
Chemical Property Profile of 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)
Property Insights of 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)
The XLogP value of 10.7 indicates that 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) has 2 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 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)?
The CAS number of 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) is 13676-82-9.
What is the molecular formula of 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)?
The molecular formula of 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) is C31H48O2.
What is the molecular weight of 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)?
The molecular weight of 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) is 452.37 g/mol.
Where can I buy 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)?
You can request a quote for 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.