1-Tert-butyl-4-isopropylbenzene
TL;DR: 1-Tert-butyl-4-isopropylbenzene (CAS 4132-49-4) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-propan-2-ylbenzene
Also Known As: 1-Tert-butyl-4-isopropylbenzene, p-isopropyl-t-butylbenzene, p-tert-butylisopropylbenzene, 4-Isopropyl-tert-butylbenzene, 1-tert-butyl-4-propan-2-ylbenzene
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 4132-49-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | QLPNXSSDHYYKBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Tert-butyl-4-isopropylbenzene (CAS 4132-49-4), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 1-tert-butyl-4-propan-2-ylbenzene.
Chemical Property Profile of 1-Tert-butyl-4-isopropylbenzene
Property Insights of 1-Tert-butyl-4-isopropylbenzene
The XLogP value of 5.4 indicates that 1-Tert-butyl-4-isopropylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Tert-butyl-4-isopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-isopropylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Tert-butyl-4-isopropylbenzene?
The CAS number of 1-Tert-butyl-4-isopropylbenzene is 4132-49-4.
What is the molecular formula of 1-Tert-butyl-4-isopropylbenzene?
The molecular formula of 1-Tert-butyl-4-isopropylbenzene is C13H20.
What is the molecular weight of 1-Tert-butyl-4-isopropylbenzene?
The molecular weight of 1-Tert-butyl-4-isopropylbenzene is 176.16 g/mol.
Where can I buy 1-Tert-butyl-4-isopropylbenzene?
You can request a quote for 1-Tert-butyl-4-isopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4-isopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-isopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.