Benzene, 1-ethoxymethyl-4-tert-butyl-
TL;DR: Benzene, 1-ethoxymethyl-4-tert-butyl- (CAS 476370-48-6) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(ethoxymethyl)benzene
Also Known As: 4-tert-Butylbenzylethyl ether, 1-tert-Butyl-4-(ethoxymethyl)benzene, Benzene, 1-ethoxymethyl-4-tert-butyl-, 1-(tert-Butyl)-4-(ethoxymethyl)benzene, 1-tert-Butyl-4-(ethoxymethyl)benzene #
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 476370-48-6 |
|---|---|
| SMILES | CCOCC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | BNCMBIVYUNPQCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-ethoxymethyl-4-tert-butyl- (CAS 476370-48-6), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 1-tert-butyl-4-(ethoxymethyl)benzene.
Chemical Property Profile of Benzene, 1-ethoxymethyl-4-tert-butyl-
Property Insights of Benzene, 1-ethoxymethyl-4-tert-butyl-
The XLogP value of 3.6 indicates that Benzene, 1-ethoxymethyl-4-tert-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-ethoxymethyl-4-tert-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-ethoxymethyl-4-tert-butyl- 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 Benzene, 1-ethoxymethyl-4-tert-butyl-?
The CAS number of Benzene, 1-ethoxymethyl-4-tert-butyl- is 476370-48-6.
What is the molecular formula of Benzene, 1-ethoxymethyl-4-tert-butyl-?
The molecular formula of Benzene, 1-ethoxymethyl-4-tert-butyl- is C13H20O.
What is the molecular weight of Benzene, 1-ethoxymethyl-4-tert-butyl-?
The molecular weight of Benzene, 1-ethoxymethyl-4-tert-butyl- is 192.15 g/mol.
Where can I buy Benzene, 1-ethoxymethyl-4-tert-butyl-?
You can request a quote for Benzene, 1-ethoxymethyl-4-tert-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-ethoxymethyl-4-tert-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-ethoxymethyl-4-tert-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.