tert-Butylstyrene
TL;DR: tert-Butylstyrene (CAS 71486-31-2) is a chemical compound with molecular formula C12H16 and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylbut-1-enylbenzene
Also Known As: tert-Butylstyrene, t-butylstyrene, t-butyl styrene, tert-butyl styrene, tertiary butyl styrene
| Molecular Formula | C12H16 |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.1252 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 71486-31-2 |
|---|---|
| SMILES | CC(C)(C)C=CC1=CC=CC=C1 |
| InChIKey | DXIJHCSGLOHNES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butylstyrene (CAS 71486-31-2), with molecular formula C12H16 and molecular weight 160.13 g/mol. IUPAC: 3,3-dimethylbut-1-enylbenzene.
Chemical Property Profile of tert-Butylstyrene
Property Insights of tert-Butylstyrene
The XLogP value of 4.5 indicates that tert-Butylstyrene 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-Butylstyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butylstyrene 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-Butylstyrene?
The CAS number of tert-Butylstyrene is 71486-31-2.
What is the molecular formula of tert-Butylstyrene?
The molecular formula of tert-Butylstyrene is C12H16.
What is the molecular weight of tert-Butylstyrene?
The molecular weight of tert-Butylstyrene is 160.13 g/mol.
Where can I buy tert-Butylstyrene?
You can request a quote for tert-Butylstyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butylstyrene?
Yes, KEHONG BIO provides custom synthesis services for tert-Butylstyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.