tert-Butylanisole
TL;DR: tert-Butylanisole (CAS 36731-23-4) 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.
1-tert-butyl-2-methoxybenzene
Also Known As: tert-Butylanisole, 1-tert-butyl-2-methoxybenzene, 1-(tert-Butyl)-2-methoxybenzene, 2-tert-butylanisole, 2-t-butylanisole
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.7 |
| 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 | 134.0 |
Chemical Identifiers
| CAS Number | 36731-23-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1OC |
| InChIKey | YIQUTYFGUKCQCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butylanisole (CAS 36731-23-4), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 1-tert-butyl-2-methoxybenzene.
Chemical Property Profile of tert-Butylanisole
Property Insights of tert-Butylanisole
The XLogP value of 3.7 indicates that 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, tert-Butylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 tert-Butylanisole?
The CAS number of tert-Butylanisole is 36731-23-4.
What is the molecular formula of tert-Butylanisole?
The molecular formula of tert-Butylanisole is C11H16O.
What is the molecular weight of tert-Butylanisole?
The molecular weight of tert-Butylanisole is 164.12 g/mol.
Where can I buy tert-Butylanisole?
You can request a quote for tert-Butylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butylanisole?
Yes, KEHONG BIO provides custom synthesis services for tert-Butylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.