5-tert-Butyl-o-cresol
TL;DR: 5-tert-Butyl-o-cresol (CAS 5781-02-2) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-methylphenol
Also Known As: 5-tert-butyl-2-methylphenol, 5-tert-Butyl-o-cresol, 5-tert-Butyl-2-cresol, 2-Methyl-5-tert-butylphenol, 5-t-butyl-2-methylphenol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 5781-02-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)(C)C)O |
| InChIKey | FLSBACIXSFRPLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-tert-Butyl-o-cresol (CAS 5781-02-2), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 5-tert-butyl-2-methylphenol.
Chemical Property Profile of 5-tert-Butyl-o-cresol
Property Insights of 5-tert-Butyl-o-cresol
The XLogP value of 3.6 indicates that 5-tert-Butyl-o-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 5-tert-Butyl-o-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butyl-o-cresol 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 5-tert-Butyl-o-cresol?
The CAS number of 5-tert-Butyl-o-cresol is 5781-02-2.
What is the molecular formula of 5-tert-Butyl-o-cresol?
The molecular formula of 5-tert-Butyl-o-cresol is C11H16O.
What is the molecular weight of 5-tert-Butyl-o-cresol?
The molecular weight of 5-tert-Butyl-o-cresol is 164.12 g/mol.
Where can I buy 5-tert-Butyl-o-cresol?
You can request a quote for 5-tert-Butyl-o-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-o-cresol?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-o-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.