5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol
TL;DR: 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol (CAS 2213-68-5) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
Also Known As: 5-methyl-3- pyrocatechol, 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol, 5-Methyl-3-tert-octyl-brenzcatechin, 5-methyl-3-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol, 1,2-benzenediol, 5-methyl-3-(1,1,3,3-tetramethylbutyl)-
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 2213-68-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O)O)C(C)(C)CC(C)(C)C |
| InChIKey | KEUANYXDVWBCRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol (CAS 2213-68-5), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: 5-methyl-3-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol.
Chemical Property Profile of 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol
Property Insights of 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol
The XLogP value of 5.0 indicates that 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol 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 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol?
The CAS number of 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol is 2213-68-5.
What is the molecular formula of 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol?
The molecular formula of 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol is C15H24O2.
What is the molecular weight of 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol?
The molecular weight of 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol is 236.18 g/mol.
Where can I buy 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol?
You can request a quote for 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.