p-sec-Amylphenol
TL;DR: p-sec-Amylphenol (CAS 94-06-4) 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-pentan-2-ylphenol
Also Known As: p-sec-Amylphenol, 4-(1-Methylbutyl)phenol, 4-sec-Amylphenol, Phenol, 4-sec-pentyl-, 4-(PENTAN-2-YL)PHENOL
| 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 | 3 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 94-06-4 |
|---|---|
| SMILES | CCCC(C)C1=CC=C(C=C1)O |
| InChIKey | JTHGIRIGZAGNOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-sec-Amylphenol (CAS 94-06-4), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 4-pentan-2-ylphenol.
Chemical Property Profile of p-sec-Amylphenol
Property Insights of p-sec-Amylphenol
The XLogP value of 3.6 indicates that p-sec-Amylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, p-sec-Amylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-sec-Amylphenol 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 p-sec-Amylphenol?
The CAS number of p-sec-Amylphenol is 94-06-4.
What is the molecular formula of p-sec-Amylphenol?
The molecular formula of p-sec-Amylphenol is C11H16O.
What is the molecular weight of p-sec-Amylphenol?
The molecular weight of p-sec-Amylphenol is 164.12 g/mol.
Where can I buy p-sec-Amylphenol?
You can request a quote for p-sec-Amylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-sec-Amylphenol?
Yes, KEHONG BIO provides custom synthesis services for p-sec-Amylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.