4-Tert-octylcatechol
TL;DR: 4-Tert-octylcatechol (CAS 1139-46-4) 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-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
Also Known As: 4-tert-OCTYLCATECHOL, 4-t-octylcatechol, 4-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol, 4-(1,1,3,3-Tetramethylbutyl)pyrocatechol, 4-(tert-Octyl)catechol
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 1139-46-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)O |
| InChIKey | BOTKTAZUSYVSFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-octylcatechol (CAS 1139-46-4), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 4-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol.
Chemical Property Profile of 4-Tert-octylcatechol
Property Insights of 4-Tert-octylcatechol
The XLogP value of 4.4 indicates that 4-Tert-octylcatechol 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-Tert-octylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-octylcatechol 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-Tert-octylcatechol?
The CAS number of 4-Tert-octylcatechol is 1139-46-4.
What is the molecular formula of 4-Tert-octylcatechol?
The molecular formula of 4-Tert-octylcatechol is C14H22O2.
What is the molecular weight of 4-Tert-octylcatechol?
The molecular weight of 4-Tert-octylcatechol is 222.16 g/mol.
Where can I buy 4-Tert-octylcatechol?
You can request a quote for 4-Tert-octylcatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-octylcatechol?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-octylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.