6-tert-Butyltetralin
TL;DR: 6-tert-Butyltetralin (CAS 42044-26-8) is a chemical compound with molecular formula C14H20 and molecular weight 188.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-1,2,3,4-tetrahydronaphthalene
Also Known As: 6-tert-Butyltetralin, 6-tert-butyl-1,2,3,4-tetrahydronaphthalene, C(C)(C)(C)c1ccc2CCCCc2c1, 6-tert-Butyl-(1,2,3,4-tetrahydronaphthalene), 6-tert-Butyl-[1,3,4-tetrahydronaphthalene]
| Molecular Formula | C14H20 |
|---|---|
| Molecular Weight | 188.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.1565 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 42044-26-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(CCCC2)C=C1 |
| InChIKey | XCYVLZXWLBLNID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-tert-Butyltetralin (CAS 42044-26-8), with molecular formula C14H20 and molecular weight 188.16 g/mol. IUPAC: 6-tert-butyl-1,2,3,4-tetrahydronaphthalene.
Chemical Property Profile of 6-tert-Butyltetralin
Property Insights of 6-tert-Butyltetralin
The XLogP value of 5.0 indicates that 6-tert-Butyltetralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 6-tert-Butyltetralin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyltetralin has 0 hydrogen bond donor(s) and 0 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 6-tert-Butyltetralin?
The CAS number of 6-tert-Butyltetralin is 42044-26-8.
What is the molecular formula of 6-tert-Butyltetralin?
The molecular formula of 6-tert-Butyltetralin is C14H20.
What is the molecular weight of 6-tert-Butyltetralin?
The molecular weight of 6-tert-Butyltetralin is 188.16 g/mol.
Where can I buy 6-tert-Butyltetralin?
You can request a quote for 6-tert-Butyltetralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyltetralin?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyltetralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.