4-tert-Butyl-3-methylanisole
TL;DR: 4-tert-Butyl-3-methylanisole (CAS 3609-87-8) 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-tert-butyl-4-methoxy-2-methylbenzene
Also Known As: 4-tert-Butyl-3-methylanisole, 4-t-Butyl-3-methylanisole, 1-tert-butyl-4-methoxy-2-methylbenzene, 2-(tert-Butyl)-5-methoxytoluene, Anisole, 4-tert-butyl-3-methyl-
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 3609-87-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)C(C)(C)C |
| InChIKey | ZNQXIHJPCUGNJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-3-methylanisole (CAS 3609-87-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-tert-butyl-4-methoxy-2-methylbenzene.
Chemical Property Profile of 4-tert-Butyl-3-methylanisole
Property Insights of 4-tert-Butyl-3-methylanisole
The XLogP value of 3.8 indicates that 4-tert-Butyl-3-methylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-tert-Butyl-3-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-3-methylanisole 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 4-tert-Butyl-3-methylanisole?
The CAS number of 4-tert-Butyl-3-methylanisole is 3609-87-8.
What is the molecular formula of 4-tert-Butyl-3-methylanisole?
The molecular formula of 4-tert-Butyl-3-methylanisole is C12H18O.
What is the molecular weight of 4-tert-Butyl-3-methylanisole?
The molecular weight of 4-tert-Butyl-3-methylanisole is 178.14 g/mol.
Where can I buy 4-tert-Butyl-3-methylanisole?
You can request a quote for 4-tert-Butyl-3-methylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-3-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-3-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.