4,6-Di-tert-butyl-o-cresol
TL;DR: 4,6-Di-tert-butyl-o-cresol (CAS 616-55-7) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-ditert-butyl-6-methylphenol
Also Known As: 2,4-di-tert-butyl-6-methylphenol, 4,6-Di-tert-butyl-o-cresol, 4,6-DI-TERT-BUTYL-2-METHYLPHENOL, 2,4-Ditert-butyl-6-methylphenol, n-Propylmalonic acid
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 616-55-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C |
| InChIKey | ZZZRZBIPCKQDQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Di-tert-butyl-o-cresol (CAS 616-55-7), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: 2,4-ditert-butyl-6-methylphenol.
Chemical Property Profile of 4,6-Di-tert-butyl-o-cresol
Property Insights of 4,6-Di-tert-butyl-o-cresol
The XLogP value of 5.3 indicates that 4,6-Di-tert-butyl-o-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,6-Di-tert-butyl-o-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Di-tert-butyl-o-cresol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Di-tert-butyl-o-cresol?
The CAS number of 4,6-Di-tert-butyl-o-cresol is 616-55-7.
What is the molecular formula of 4,6-Di-tert-butyl-o-cresol?
The molecular formula of 4,6-Di-tert-butyl-o-cresol is C15H24O.
What is the molecular weight of 4,6-Di-tert-butyl-o-cresol?
The molecular weight of 4,6-Di-tert-butyl-o-cresol is 220.18 g/mol.
Where can I buy 4,6-Di-tert-butyl-o-cresol?
You can request a quote for 4,6-Di-tert-butyl-o-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Di-tert-butyl-o-cresol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Di-tert-butyl-o-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.