1,2,4-Trimethyl-5-propylbenzene
TL;DR: 1,2,4-Trimethyl-5-propylbenzene (CAS 91647-78-8) 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-propylbenzene
Also Known As: 1,2,4-trimethyl-5-propylbenzene, 1,4,5-Trimethyl-2-n-Propylbenzene, 1-Propyl-2,4,5-trimethylbenzene, 1,2,4-trimethyl-5-propyl-benzene, Benzene, 1,2,4-trimethyl-5-propyl
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 91647-78-8 |
|---|---|
| SMILES | CCCC1=C(C=C(C(=C1)C)C)C |
| InChIKey | FAOVLNPOXYMREN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Trimethyl-5-propylbenzene (CAS 91647-78-8), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2,4-trimethyl-5-propylbenzene.
Chemical Property Profile of 1,2,4-Trimethyl-5-propylbenzene
Property Insights of 1,2,4-Trimethyl-5-propylbenzene
The XLogP value of 4.4 indicates that 1,2,4-Trimethyl-5-propylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,4-Trimethyl-5-propylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trimethyl-5-propylbenzene 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 1,2,4-Trimethyl-5-propylbenzene?
The CAS number of 1,2,4-Trimethyl-5-propylbenzene is 91647-78-8.
What is the molecular formula of 1,2,4-Trimethyl-5-propylbenzene?
The molecular formula of 1,2,4-Trimethyl-5-propylbenzene is C12H18.
What is the molecular weight of 1,2,4-Trimethyl-5-propylbenzene?
The molecular weight of 1,2,4-Trimethyl-5-propylbenzene is 162.14 g/mol.
Where can I buy 1,2,4-Trimethyl-5-propylbenzene?
You can request a quote for 1,2,4-Trimethyl-5-propylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trimethyl-5-propylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trimethyl-5-propylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.