4-tert-Butyl-m-cresol
TL;DR: 4-tert-Butyl-m-cresol (CAS 2219-72-9) 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.
4-tert-butyl-3-methylphenol
Also Known As: 4-tert-Butyl-m-cresol, 4-tert-butyl-3-methylphenol, P-T-BUTYL-M-CRESOL, 4-(tert-Butyl)-m-cresol, tert-Butyl-m-cresol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.5 |
| 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 | 2219-72-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)C(C)(C)C |
| InChIKey | JKINPMFPGULFQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-m-cresol (CAS 2219-72-9), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 4-tert-butyl-3-methylphenol.
Chemical Property Profile of 4-tert-Butyl-m-cresol
Property Insights of 4-tert-Butyl-m-cresol
The XLogP value of 3.5 indicates that 4-tert-Butyl-m-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, 4-tert-Butyl-m-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-m-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 4-tert-Butyl-m-cresol?
The CAS number of 4-tert-Butyl-m-cresol is 2219-72-9.
What is the molecular formula of 4-tert-Butyl-m-cresol?
The molecular formula of 4-tert-Butyl-m-cresol is C11H16O.
What is the molecular weight of 4-tert-Butyl-m-cresol?
The molecular weight of 4-tert-Butyl-m-cresol is 164.12 g/mol.
Where can I buy 4-tert-Butyl-m-cresol?
You can request a quote for 4-tert-Butyl-m-cresol 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-m-cresol?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-m-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.