4-tert-Butyl-2,6-xylenol
TL;DR: 4-tert-Butyl-2,6-xylenol (CAS 879-97-0) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2,6-dimethylphenol
Also Known As: 4-tert-Butyl-2,6-dimethylphenol, 4-tert-Butyl-2,6-xylenol, 2,6-Dimethyl-4-tert-butylphenol, 2, 4-tert-butyl-, 2,6-Xylenol, 4-tert-butyl-
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 879-97-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)C(C)(C)C |
| InChIKey | MEPYMUOZRROULQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-2,6-xylenol (CAS 879-97-0), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4-tert-butyl-2,6-dimethylphenol.
Chemical Property Profile of 4-tert-Butyl-2,6-xylenol
Property Insights of 4-tert-Butyl-2,6-xylenol
The XLogP value of 4.0 indicates that 4-tert-Butyl-2,6-xylenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-tert-Butyl-2,6-xylenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-2,6-xylenol has 1 hydrogen bond donor(s) and 1 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-Butyl-2,6-xylenol?
The CAS number of 4-tert-Butyl-2,6-xylenol is 879-97-0.
What is the molecular formula of 4-tert-Butyl-2,6-xylenol?
The molecular formula of 4-tert-Butyl-2,6-xylenol is C12H18O.
What is the molecular weight of 4-tert-Butyl-2,6-xylenol?
The molecular weight of 4-tert-Butyl-2,6-xylenol is 178.14 g/mol.
Where can I buy 4-tert-Butyl-2,6-xylenol?
You can request a quote for 4-tert-Butyl-2,6-xylenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-2,6-xylenol?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-2,6-xylenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.