p-tert-Butylanisole
TL;DR: p-tert-Butylanisole (CAS 5396-38-3) 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.
1-tert-butyl-4-methoxybenzene
Also Known As: 4-tert-Butylanisole, 1-(tert-butyl)-4-methoxybenzene, p-tert-Butylanisole, Anisole, p-tert-butyl-, 1-tert-Butyl-4-methoxybenzene
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 5396-38-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC |
| InChIKey | MCUPBIBNSTXCPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-tert-Butylanisole (CAS 5396-38-3), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 1-tert-butyl-4-methoxybenzene.
Chemical Property Profile of p-tert-Butylanisole
Property Insights of p-tert-Butylanisole
The XLogP value of 4.0 indicates that p-tert-Butylanisole 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-Butylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-tert-Butylanisole 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-Butylanisole?
The CAS number of p-tert-Butylanisole is 5396-38-3.
What is the molecular formula of p-tert-Butylanisole?
The molecular formula of p-tert-Butylanisole is C11H16O.
What is the molecular weight of p-tert-Butylanisole?
The molecular weight of p-tert-Butylanisole is 164.12 g/mol.
Where can I buy p-tert-Butylanisole?
You can request a quote for p-tert-Butylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Butylanisole?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Butylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.