Tri-sec-butylphenol
TL;DR: Tri-sec-butylphenol (CAS 31154-98-0) is a chemical compound with molecular formula C18H30O and molecular weight 262.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-tri(butan-2-yl)phenol
Also Known As: Tri-sec-butylphenol, EINECS 250-491-2, 2,3,4-Tri-sec-butylphenol, 2,3,4-tri(butan-2-yl)phenol, Phenol, tris(1-methylpropyl)-
| Molecular Formula | C18H30O |
|---|---|
| Molecular Weight | 262.23 g/mol |
| LogP | 5.9327 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.22968 |
| Heavy Atoms | 19 |
| Complexity | 408.39645 |
Chemical Identifiers
| CAS Number | 31154-98-0 |
|---|---|
| SMILES | CCC(C)C1=C(C(=C(C=C1)O)C(C)CC)C(C)CC |
Product Overview
Tri-sec-butylphenol (CAS 31154-98-0), with molecular formula C18H30O and molecular weight 262.23 g/mol. IUPAC: 2,3,4-tri(butan-2-yl)phenol.
Chemical Property Profile of Tri-sec-butylphenol
Property Insights of Tri-sec-butylphenol
The XLogP value of 5.9327 indicates that Tri-sec-butylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Tri-sec-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tri-sec-butylphenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tri-sec-butylphenol?
The CAS number of Tri-sec-butylphenol is 31154-98-0.
What is the molecular formula of Tri-sec-butylphenol?
The molecular formula of Tri-sec-butylphenol is C18H30O.
What is the molecular weight of Tri-sec-butylphenol?
The molecular weight of Tri-sec-butylphenol is 262.23 g/mol.
Where can I buy Tri-sec-butylphenol?
You can request a quote for Tri-sec-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-sec-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for Tri-sec-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.