4-sec-Butyl-2-tert-butylphenol
TL;DR: 4-sec-Butyl-2-tert-butylphenol (CAS 52184-13-1) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butan-2-yl-2-tert-butylphenol
Also Known As: 4-Sec-butyl-2-tert-butylphenol, 4-butan-2-yl-2-tert-butylphenol, 2-tert-butyl-4-sec-butylphenol, Phenol, 2-(1,1-dimethylethyl)-4-(1-methylpropyl)-, YHMYLDCYUHBSNP-UHFFFAOYSA-
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 52184-13-1 |
|---|---|
| SMILES | CCC(C)C1=CC(=C(C=C1)O)C(C)(C)C |
| InChIKey | YHMYLDCYUHBSNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-sec-Butyl-2-tert-butylphenol (CAS 52184-13-1), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 4-butan-2-yl-2-tert-butylphenol.
Chemical Property Profile of 4-sec-Butyl-2-tert-butylphenol
Property Insights of 4-sec-Butyl-2-tert-butylphenol
The XLogP value of 4.9 indicates that 4-sec-Butyl-2-tert-butylphenol 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-sec-Butyl-2-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-sec-Butyl-2-tert-butylphenol 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-sec-Butyl-2-tert-butylphenol?
The CAS number of 4-sec-Butyl-2-tert-butylphenol is 52184-13-1.
What is the molecular formula of 4-sec-Butyl-2-tert-butylphenol?
The molecular formula of 4-sec-Butyl-2-tert-butylphenol is C14H22O.
What is the molecular weight of 4-sec-Butyl-2-tert-butylphenol?
The molecular weight of 4-sec-Butyl-2-tert-butylphenol is 206.17 g/mol.
Where can I buy 4-sec-Butyl-2-tert-butylphenol?
You can request a quote for 4-sec-Butyl-2-tert-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-sec-Butyl-2-tert-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-sec-Butyl-2-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.