7-tert-Butyl-1-Tetralone
TL;DR: 7-tert-Butyl-1-Tetralone (CAS 22583-68-2) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 7-tert-Butyl-1-Tetralone, 7-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-one, 7-tert-butyltetralin-1-one, 7-(1,1-Dimethylethyl)-3,4-dihydro-1(2H)-naphthalenone, 7-(tert-Butyl)-3,4-dihydronaphthalen-1(2H)-one
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 22583-68-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(CCCC2=O)C=C1 |
| InChIKey | QRSRSRJESLKZEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-tert-Butyl-1-Tetralone (CAS 22583-68-2), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: 7-tert-butyl-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 7-tert-Butyl-1-Tetralone
Property Insights of 7-tert-Butyl-1-Tetralone
The XLogP value of 3.7 indicates that 7-tert-Butyl-1-Tetralone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 7-tert-Butyl-1-Tetralone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-tert-Butyl-1-Tetralone 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 7-tert-Butyl-1-Tetralone?
The CAS number of 7-tert-Butyl-1-Tetralone is 22583-68-2.
What is the molecular formula of 7-tert-Butyl-1-Tetralone?
The molecular formula of 7-tert-Butyl-1-Tetralone is C14H18O.
What is the molecular weight of 7-tert-Butyl-1-Tetralone?
The molecular weight of 7-tert-Butyl-1-Tetralone is 202.14 g/mol.
Where can I buy 7-tert-Butyl-1-Tetralone?
You can request a quote for 7-tert-Butyl-1-Tetralone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-tert-Butyl-1-Tetralone?
Yes, KEHONG BIO provides custom synthesis services for 7-tert-Butyl-1-Tetralone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.