5-Isopropyl-1,2,4-trimethylbenzene
TL;DR: 5-Isopropyl-1,2,4-trimethylbenzene (CAS 10222-95-4) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trimethyl-5-propan-2-ylbenzene
Also Known As: 5-Isopropyl-1,2,4-trimethylbenzene, 5-Isopropylpseudocumene, 2,4,5-Trimethylcumene, Cumene, 2,4,5-trimethyl-, 1,2,4-Trimethyl-5-isopropylbenzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 10222-95-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)C(C)C)C |
| InChIKey | POOXAYBPGIHSME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isopropyl-1,2,4-trimethylbenzene (CAS 10222-95-4), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2,4-trimethyl-5-propan-2-ylbenzene.
Chemical Property Profile of 5-Isopropyl-1,2,4-trimethylbenzene
Property Insights of 5-Isopropyl-1,2,4-trimethylbenzene
The XLogP value of 4.1 indicates that 5-Isopropyl-1,2,4-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Isopropyl-1,2,4-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropyl-1,2,4-trimethylbenzene 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 5-Isopropyl-1,2,4-trimethylbenzene?
The CAS number of 5-Isopropyl-1,2,4-trimethylbenzene is 10222-95-4.
What is the molecular formula of 5-Isopropyl-1,2,4-trimethylbenzene?
The molecular formula of 5-Isopropyl-1,2,4-trimethylbenzene is C12H18.
What is the molecular weight of 5-Isopropyl-1,2,4-trimethylbenzene?
The molecular weight of 5-Isopropyl-1,2,4-trimethylbenzene is 162.14 g/mol.
Where can I buy 5-Isopropyl-1,2,4-trimethylbenzene?
You can request a quote for 5-Isopropyl-1,2,4-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopropyl-1,2,4-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-1,2,4-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.