Trimethylcumene
TL;DR: Trimethylcumene (CAS 33991-60-5) 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-3-propan-2-ylbenzene
Also Known As: Trimethylcumene, Oxaceprol, nickel,triphenylphosphane, 1,2,4-trimethyl-3-(propan-2-yl)benzene, Benzene,1,2,4-trimethyl-3- -
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.7 |
| 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 | 33991-60-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)C(C)C)C |
| InChIKey | CKLMZXZZNILPFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylcumene (CAS 33991-60-5), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2,4-trimethyl-3-propan-2-ylbenzene.
Chemical Property Profile of Trimethylcumene
Property Insights of Trimethylcumene
The XLogP value of 4.7 indicates that Trimethylcumene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Trimethylcumene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylcumene 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 Trimethylcumene?
The CAS number of Trimethylcumene is 33991-60-5.
What is the molecular formula of Trimethylcumene?
The molecular formula of Trimethylcumene is C12H18.
What is the molecular weight of Trimethylcumene?
The molecular weight of Trimethylcumene is 162.14 g/mol.
Where can I buy Trimethylcumene?
You can request a quote for Trimethylcumene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylcumene?
Yes, KEHONG BIO provides custom synthesis services for Trimethylcumene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.