tert-Amylbenzene
TL;DR: tert-Amylbenzene (CAS 2049-95-8) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutan-2-ylbenzene
Also Known As: tert-Amylbenzene, tert-Pentylbenzene, 2-Methyl-2-phenylbutane, Benzene, tert-pentyl-, t-amylbenzene
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 2049-95-8 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=CC=C1 |
| InChIKey | QHTJSSMHBLGUHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Amylbenzene (CAS 2049-95-8), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 2-methylbutan-2-ylbenzene.
Chemical Property Profile of tert-Amylbenzene
Property Insights of tert-Amylbenzene
The XLogP value of 4.7 indicates that tert-Amylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, tert-Amylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Amylbenzene 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 tert-Amylbenzene?
The CAS number of tert-Amylbenzene is 2049-95-8.
What is the molecular formula of tert-Amylbenzene?
The molecular formula of tert-Amylbenzene is C11H16.
What is the molecular weight of tert-Amylbenzene?
The molecular weight of tert-Amylbenzene is 148.13 g/mol.
Where can I buy tert-Amylbenzene?
You can request a quote for tert-Amylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Amylbenzene?
Yes, KEHONG BIO provides custom synthesis services for tert-Amylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.