5-tert-Butylpyrogallol
TL;DR: 5-tert-Butylpyrogallol (CAS 20481-17-8) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylbenzene-1,2,3-triol
Also Known As: 5-tert-Butylpyrogallol, 5-t-Butylpyrogallol, 5-tert-butylbenzene-1,2,3-triol, 5-(tert-butyl)benzene-1,2,3-triol, P-TERT-BUTYLPYROGALLOL
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 20481-17-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | HCNISNCKPIVZDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-tert-Butylpyrogallol (CAS 20481-17-8), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 5-tert-butylbenzene-1,2,3-triol.
Chemical Property Profile of 5-tert-Butylpyrogallol
Property Insights of 5-tert-Butylpyrogallol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butylpyrogallol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-Butylpyrogallol. Following Lipinski's Rule of Five, 5-tert-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 5-tert-Butylpyrogallol?
The CAS number of 5-tert-Butylpyrogallol is 20481-17-8.
What is the molecular formula of 5-tert-Butylpyrogallol?
The molecular formula of 5-tert-Butylpyrogallol is C10H14O3.
What is the molecular weight of 5-tert-Butylpyrogallol?
The molecular weight of 5-tert-Butylpyrogallol is 182.09 g/mol.
Where can I buy 5-tert-Butylpyrogallol?
You can request a quote for 5-tert-Butylpyrogallol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butylpyrogallol?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butylpyrogallol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.