4,6-Di-tert-butylresorcinol
TL;DR: 4,6-Di-tert-butylresorcinol (CAS 5374-06-1) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butylbenzene-1,3-diol
Also Known As: 4,6-Di-tert-butylresorcinol, 4,6-di-tert-butylbenzene-1,3-diol, 4,6-Di(tert-butyl)benzene-1,3-diol, 4,6-di-t-butylresorcinol, 4,6-ditert-butylbenzene-1,3-diol
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 5374-06-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1O)O)C(C)(C)C |
| InChIKey | KJFMXIXXYWHFAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Di-tert-butylresorcinol (CAS 5374-06-1), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 4,6-ditert-butylbenzene-1,3-diol.
Chemical Property Profile of 4,6-Di-tert-butylresorcinol
Property Insights of 4,6-Di-tert-butylresorcinol
The XLogP value of 4.6 indicates that 4,6-Di-tert-butylresorcinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4,6-Di-tert-butylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Di-tert-butylresorcinol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Di-tert-butylresorcinol?
The CAS number of 4,6-Di-tert-butylresorcinol is 5374-06-1.
What is the molecular formula of 4,6-Di-tert-butylresorcinol?
The molecular formula of 4,6-Di-tert-butylresorcinol is C14H22O2.
What is the molecular weight of 4,6-Di-tert-butylresorcinol?
The molecular weight of 4,6-Di-tert-butylresorcinol is 222.16 g/mol.
Where can I buy 4,6-Di-tert-butylresorcinol?
You can request a quote for 4,6-Di-tert-butylresorcinol 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-butylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Di-tert-butylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.