1-(tert-Butoxy)-4-(tert-butyl)benzene
TL;DR: 1-(tert-Butoxy)-4-(tert-butyl)benzene (CAS 31603-95-9) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene
Also Known As: 4-t-butylphenyl t-butyl ether, 1-(tert-Butoxy)-4-(tert-butyl)benzene, 1-tert-Butoxy-4-tert-butylbenzene, 4-tert-Butylphenyl tert-butyl ether, 1-(tert-butoxy)-4-tert-butylbenzene
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 4.1614 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 308.6773 |
Chemical Identifiers
| CAS Number | 31603-95-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(C)(C)C |
Product Overview
1-(tert-Butoxy)-4-(tert-butyl)benzene (CAS 31603-95-9), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene.
Chemical Property Profile of 1-(tert-Butoxy)-4-(tert-butyl)benzene
Property Insights of 1-(tert-Butoxy)-4-(tert-butyl)benzene
The XLogP value of 4.1614 indicates that 1-(tert-Butoxy)-4-(tert-butyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-(tert-Butoxy)-4-(tert-butyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-Butoxy)-4-(tert-butyl)benzene 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 1-(tert-Butoxy)-4-(tert-butyl)benzene?
The CAS number of 1-(tert-Butoxy)-4-(tert-butyl)benzene is 31603-95-9.
What is the molecular formula of 1-(tert-Butoxy)-4-(tert-butyl)benzene?
The molecular formula of 1-(tert-Butoxy)-4-(tert-butyl)benzene is C14H22O.
What is the molecular weight of 1-(tert-Butoxy)-4-(tert-butyl)benzene?
The molecular weight of 1-(tert-Butoxy)-4-(tert-butyl)benzene is 206.17 g/mol.
Where can I buy 1-(tert-Butoxy)-4-(tert-butyl)benzene?
You can request a quote for 1-(tert-Butoxy)-4-(tert-butyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-Butoxy)-4-(tert-butyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-Butoxy)-4-(tert-butyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.