p-tert-Amylanisole
TL;DR: p-tert-Amylanisole (CAS 6940-06-3) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-(2-methylbutan-2-yl)benzene
Also Known As: p-tert-Amylanisole, p-Tert-pentylanisole, 4-tert-pentylanisole, 4-(tert-pentyl)anisole, p-Methoxy-tert.-amyl-benzol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 6940-06-3 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)OC |
| InChIKey | BBKHJZSTQDGANW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-tert-Amylanisole (CAS 6940-06-3), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-methoxy-4-(2-methylbutan-2-yl)benzene.
Chemical Property Profile of p-tert-Amylanisole
Property Insights of p-tert-Amylanisole
The XLogP value of 4.1 indicates that p-tert-Amylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, p-tert-Amylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-tert-Amylanisole has 0 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-tert-Amylanisole?
The CAS number of p-tert-Amylanisole is 6940-06-3.
What is the molecular formula of p-tert-Amylanisole?
The molecular formula of p-tert-Amylanisole is C12H18O.
What is the molecular weight of p-tert-Amylanisole?
The molecular weight of p-tert-Amylanisole is 178.14 g/mol.
Where can I buy p-tert-Amylanisole?
You can request a quote for p-tert-Amylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Amylanisole?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Amylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.