4,6-Di-t-butylpyrogallol
TL;DR: 4,6-Di-t-butylpyrogallol (CAS 3934-77-8) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butylbenzene-1,2,3-triol
Also Known As: 4,6-di-tert-Butylpyrogallol, 4,6-Di-t-butylpyrogallol, 4,6-di-tert-butylbenzene-1,2,3-triol, 4,6-ditert-butylbenzene-1,2,3-triol, 4,6-bis(tert-butyl)benzene-1,2,3-triol
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 3934-77-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1O)O)O)C(C)(C)C |
| InChIKey | NRVDOWRFIAEMPS-UHFFFAOYSA-N |
Product Overview
4,6-Di-t-butylpyrogallol (CAS 3934-77-8), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: 4,6-ditert-butylbenzene-1,2,3-triol.
Chemical Property Profile of 4,6-Di-t-butylpyrogallol
Property Insights of 4,6-Di-t-butylpyrogallol
The XLogP value of 4.2 indicates that 4,6-Di-t-butylpyrogallol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Di-t-butylpyrogallol. Following Lipinski's Rule of Five, 4,6-Di-t-butylpyrogallol has 3 hydrogen bond donor(s) and 3 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-t-butylpyrogallol?
The CAS number of 4,6-Di-t-butylpyrogallol is 3934-77-8.
What is the molecular formula of 4,6-Di-t-butylpyrogallol?
The molecular formula of 4,6-Di-t-butylpyrogallol is C14H22O3.
What is the molecular weight of 4,6-Di-t-butylpyrogallol?
The molecular weight of 4,6-Di-t-butylpyrogallol is 238.16 g/mol.
Where can I buy 4,6-Di-t-butylpyrogallol?
You can request a quote for 4,6-Di-t-butylpyrogallol 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-t-butylpyrogallol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Di-t-butylpyrogallol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.